SCHEMBL7164409

SCHEMBL7164409

O=C(S)[C@@H](Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.79
CYP1A2 P05177 1/20 0.47
CTRB1 P17538 3/20 0.46
CTNNB1 P35222 1/20 0.46
KMT2A Q03164 1/20 0.46
CPA3 P15088 2/20 0.46
FOLH1 Q04609 1/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL6990924 1.00 MDM2 (0.79) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL11713368 0.88 MDM2 (1.00) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL3355858 0.86 MDM2 (0.88) MDM2CYP1A2CTNNB1KMT2ACPA3
SCHEMBL7037701 0.86 MDM2 (0.88) MDM2CYP1A2CTNNB1KMT2ACPA3
SCHEMBL7164412 0.83 MDM2 (0.81) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL6990929 0.83 MDM2 (0.81) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL6990936 0.83 MDM2 (0.81) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL2138695 0.81 MDM2 (0.79) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL9242408 0.81 MDM2 (0.79) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL7274785 0.79 MDM2 (0.53) MDM2CYP1A2CTRB1CPA3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544980-B2 For treating neoplasms, atherosclerosis, and chronic inflammatory diseases AVENTIS PHARMACEUTICALS INC. 2003-04-08 US disclosed
US-20020095035-A1 N-carboxymethyl substituted benzolactams as inhibitors of matrix metalloproteinase WARSHAWSKY ALAN M (US) 2002-07-18 US disclosed
EP-1150957-A1 N-CARBOXYMETHYL SUBSTITUTED BENZOLACTAMS AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-11-07 EP disclosed
WO-2000040564-A1 N-CARBOXYMETHYL SUBSTITUTED BENZOLACTAMS AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed
EP-0750631-B1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO(C)AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 2000-04-05 EP disclosed
US-5880119-A Mercaptoacetylamino 1,3,4,5-tetrahydro-benzo(C)azepin-2-one disulfide derivatives useful as inhibitors of enkephalinase and ACE MERRELL PHARMACEUTICALS INC. (US) 1999-03-09 US disclosed
US-5731306-A Mercaptoacetylamido 1,3,4,5-tetrahydro-benzo c!azepin-3-one disulfide derivatives useful as inhibitors of enkephalinase and ace AVENTISUB II INC. 1998-03-24 US disclosed
EP-0750631-A1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO(C)AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1997-01-02 EP disclosed
WO-1995021854-A1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 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 (1 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-20020095035-A1 N-carboxymethyl substituted benzolactams as inhibitors of matrix metalloproteinase MMP17, MMP26, MMP16 MDM2 2532/4885CYP1A2 648/4885CTRB1 686/4885

“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.