SCHEMBL8153603

SCHEMBL8153603

CS(=O)(=O)N[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.52

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
Benzene SCHEMBL1329535 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8293915-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-8293915-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20100239551-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-09-23 US disclosed
US-20100239551-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-09-23 US disclosed
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-03-04 US disclosed
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-03-04 US disclosed
WO-2008097673-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2008-08-14 WO disclosed
US-20080176901-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176901-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2008-07-24 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 (4 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-20100239551-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS8, PRSS1, PRSS2 MME 204/4885ACE 745/4885MMP7 41/4885
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 MME 317/4885ACE 530/4885MMP7 16/4885
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 MME 317/4885ACE 530/4885MMP7 16/4885
US-20080176901-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 MME 317/4885ACE 530/4885MMP7 16/4885

“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.