SCHEMBL3969795

SCHEMBL3969795

COc1ccccc1-c1ccc([C]=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
XDH P47989 1/20 0.47
CHEK1 O14757 1/20 0.44
APP P05067 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
ERN1 O75460 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL1436484 0.81 FYN (0.56) PTPRCPTPN1XDHAPPPGR
SCHEMBL11315026 0.81 XDH (0.47) PTPRCPTPN1XDHCHEK1APP
SCHEMBL24106783 0.78 ALDH1A1 (0.55) PTPRCPTPN1XDHAPPPPARG
SCHEMBL24197001 0.78 PTPRC (0.51) PTPRCPTPN1XDHCHEK1APP
SCHEMBL30136447 0.78 ALDH1A1 (0.58) PTPRCPTPN1XDHAPPCA12
SCHEMBL294721 0.78 ALDH1A1 (0.58) PTPRCPTPN1XDHAPPCA12
SCHEMBL1704521 0.76 ABL1 (0.62) PTPRCPTPN1XDHAPPKCNH2
SCHEMBL4425113 0.76 SYK (0.56) PTPRCPTPN1XDHCHEK1APP
SCHEMBL5690752 0.76 SQOR (0.55) PTPRCPTPN1XDHAPPPGR
SCHEMBL13370824 0.76 KDM1A (0.60) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
CN-1481377-A Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteinases and TNF-alpha ����˹�ж�-����˹˹����ҩƷ��˾ 2004-03-10 CN disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 PTPRC 2900/4885PTPN1 3006/4885XDH 66/4885

“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.