SCHEMBL14486

SCHEMBL14486

O=C(c1cc(Br)cc(Br)c1)N1CCS(=O)(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 4/20 0.47
SERPINE1 P05121 1/20 0.43
CNR2 P34972 1/20 0.41
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL3 Q96JM7 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
L3MBTL4 Q8NA19 2/20 0.39
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38

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
SCHEMBL23932364 0.86 ALDH1A1 (0.42) ALDH1A1TP53HPGDSERPINE1CNR2
SCHEMBL30151683 0.86 ALDH1A1 (0.42) ALDH1A1TP53HPGDSERPINE1CNR2
SCHEMBL3396439 0.82 HPGD (0.68) ALDH1A1HPGDMGLLPOLBL3MBTL3
SCHEMBL3389201 0.81 HPGD (0.68) ALDH1A1TP53HPGDKDM4EL3MBTL3
SCHEMBL30151670 0.80 HPGD (0.38) ALDH1A1TP53HPGDCNR2MGLL
SCHEMBL23932423 0.80 HPGD (0.38) ALDH1A1TP53HPGDCNR2MGLL
SCHEMBL3455576 0.79 HPGD (0.66) ALDH1A1TP53HPGDKDM4EL3MBTL3
SCHEMBL3396285 0.78 LMNA (0.44) ALDH1A1TP53HPGDKDM4EKMT2A
SCHEMBL14378 0.75 MEN1 (0.44) ALDH1A1CNR2KMT2A
SCHEMBL848003 0.74 HPGD (0.56) ALDH1A1TP53HPGDCNR2MGLL

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO 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 (2 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT ALDH1A1 1117/4885TP53 3023/4885HPGD 360/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALDH1A1 1117/4885TP53 3023/4885HPGD 360/4885

“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.