SCHEMBL6990936

SCHEMBL6990936

O=C(c1ccccc1)C(Cc1ccccc1)C(O)=S

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.81
CYP1A2 P05177 1/20 0.48
CTNNB1 P35222 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTRB1 P17538 3/20 0.44
KMT2A Q03164 1/20 0.44
MMP8 P22894 1/20 0.44
CPA1 P15085 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 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
SCHEMBL6990929 1.00 MDM2 (0.81) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL7164412 1.00 MDM2 (0.81) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL11713368 0.90 MDM2 (1.00) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL7037701 0.88 MDM2 (0.88) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL3355858 0.88 MDM2 (0.88) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL7349956 0.86 CYP1A2 (0.59) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL9242408 0.83 MDM2 (0.79) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL6990924 0.83 MDM2 (0.79) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL2138695 0.83 MDM2 (0.79) MDM2CYP1A2CTNNB1ALPIPKM
SCHEMBL7164409 0.83 MDM2 (0.79) MDM2CYP1A2CTNNB1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641343-B1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMA INC (US) 2003-06-25 EP disclosed
US-6544980-B2 For treating neoplasms, atherosclerosis, and chronic inflammatory diseases AVENTIS PHARMACEUTICALS INC. 2003-04-08 US disclosed
CN-1100785-C 1,3,4, 5-tetrahydrobenzo [ C ] azepine * -3-one disulfide derivatives and methods MERVELL DOW PHARMACEUTICALS IN (US) 2003-02-05 CN 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-0481522-B1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-12-29 EP disclosed
CN-1140454-A Novel mercaptoacetylamido-1,3,4,5-tetrahydro-benzo[c] azepin-3-one disulfide derivs. useful as inhibitors of enkephalinase and ACE MERRELL DOW PHARMA (US) 1997-01-15 CN 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
US-5527795-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1996-06-18 US disclosed
US-5491143-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US 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
US-5430145-A Analgesics, reduction of drug withdrawal symptoms, hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-04 US disclosed
EP-0641343-A1 4-MERCAPTOACETYLAMINO- 2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
WO-1993023397-A1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed
US-5238932-A Mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-24 US disclosed
EP-0481522-A1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1992-04-22 EP 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 648/4885CTNNB1 1804/4885

“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.