Benzene

Benzene

SCHEMBL1329535

CS(=O)(=O)NC(CCc1ccccc1)C(=O)O.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
ACE P12821 1/20 0.51
MMP7 P09237 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP2 P08253 5/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP14 P50281 1/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8153603 1.00 MME (0.52) MMEACEMMP7ALDH1A1CYP1A2
SCHEMBL12617067 0.89 ALDH1A1 (0.48) MMEACEMMP7ALDH1A1CYP1A2
SCHEMBL14125663 0.85 SMN1; SMN2 (0.52) MMEACEALDH1A1CYP1A2CYP2C9
SCHEMBL23012961 0.84 ACE (0.55) MMEACEALDH1A1CYP1A2CYP2C9
SCHEMBL23012963 0.84 ACE (0.55) MMEACEALDH1A1CYP1A2CYP2C9
SCHEMBL698061 0.83 MMP2 (0.63) MMEMMP7ALDH1A1MMP2MMP9
SCHEMBL6436714 0.83 MMP2 (0.63) MMEMMP7ALDH1A1MMP2MMP9
SCHEMBL698062 0.83 MMP2 (0.63) MMEMMP7ALDH1A1MMP2MMP9
Benzene SCHEMBL28198278 0.83 MMP2 (0.63) MMEMMP7ALDH1A1MMP2MMP9
SCHEMBL1329533 0.83 SLC1A3 (0.56) MMEACEMMP7ALDH1A1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11400062-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2022-08-02 US disclosed
US-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof 3I, LP 2020-08-13 US disclosed
EP-2349241-B1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-06-19 EP disclosed
EP-2560486-B1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS INC (US) 2018-11-21 EP disclosed
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof 3I, LP 2017-05-04 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 US disclosed
US-9493477-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug SIGNATURE THERAPEUTICS, INC. (US) 2013-04-11 US disclosed
US-20130059914-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-03-07 US disclosed
US-20120230916-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof 3I, LP 2012-09-13 US disclosed
US-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids 3I, LP 2011-11-17 US disclosed
WO-2011133178-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED TAPENTADOL PRODRUG PHARMACOFORE, INC (US) 2011-10-27 WO disclosed
WO-2011133347-A1 COMPOSITIONS COMPRISING TRYPSIN-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133179-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE HYDROMORPHONE PRODRUG PHARMACOFORE, INC (US) 2011-10-27 WO disclosed
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof ACHE, COMT, CES2 MME 10/4885ACE 9/4885MMP7 203/4885
US-20120230916-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 MME 95/4885ACE 36/4885MMP7 633/4885
US-20170119754-A1 Compositions Comprising Enzyme-Cleavable Ketone-Modified Opioid Prodrugs and Optional Inhibitors Thereof ACHE, CYP2C18, CYP2C9 MME 95/4885ACE 36/4885MMP7 633/4885
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof COMT, OPRM1, DNPEP MME 35/4885ACE 22/4885MMP7 272/4885
US-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug CYP2C9, ACHE, COMT MME 149/4885ACE 68/4885MMP7 430/4885
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PEPD, TMPRSS15, ADAM17 MME 67/4885ACE 13/4885MMP7 87/4885
US-20110262355-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF ACHE, OPRM1, DNPEP MME 42/4885ACE 17/4885MMP7 168/4885
US-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids COMT, OPRM1, OPRK1 MME 20/4885ACE 17/4885MMP7 216/4885
US-20130059914-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 MME 10/4885ACE 9/4885MMP7 203/4885
US-11400062-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof ACHE, COMT, CES2 MME 10/4885ACE 9/4885MMP7 203/4885
US-10028945-B2 Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof ACHE, CYP2C18, CYP2C9 MME 95/4885ACE 36/4885MMP7 633/4885
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 MME 10/4885ACE 9/4885MMP7 203/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.