SCHEMBL4826237

SCHEMBL4826237

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
MDM2 Q00987 1/20 0.53
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CPA3 P15088 3/20 0.47
CPA1 P15085 2/20 0.47
FOLH1 Q04609 1/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
SRR Q9GZT4 2/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MME P08473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL7098207 0.81 MMP8 (0.46) CYP1A2MMEMMP8
SCHEMBL392827 0.81 CYP1A2 (0.70) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL16218015 0.81 CYP1A2 (0.53) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL28377626 0.79 CYP1A2 (0.67) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL27876635 0.79 CYP1A2 (0.67) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL28314499 0.79 CYP1A2 (0.67) CYP1A2MDM2ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL7304155 0.79 CYP1A2 (0.67) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL7349956 0.78 CYP1A2 (0.59) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL4310520 0.74 CYP1A2 (0.55) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL6896938 0.74 ALPI (0.57) CYP1A2MDM2ALPIPKMPTGS1

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
EP-1324975-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS Bristol-Myers Squibb Company (US) 2003-07-09 EP claimed
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US claimed
WO-2002028809-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 WO claimed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1324975-B1 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL MYERS SQUIBB CO (US) 2005-11-16 EP disclosed
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
EP-1324975-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS Bristol-Myers Squibb Company (US) 2003-07-09 EP disclosed
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
WO-2002028809-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 WO disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed
CN-1110865-A Amino acid derivatives EISAI CO LTD (JP) 1995-10-25 CN 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-20020111512-A1 Dynamic resolution of isomers and resolved isomers DHCR24, LPAR1, SLC7A1 CYP1A2 1752/4885MDM2 1560/4885ALPI 1764/4885

“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.