SCHEMBL4626809

SCHEMBL4626809

COc1cc(C(=O)O)c(-c2ccccc2Cn2cc(Cc3ccccc3)c3cc(C(=N)N)ccc32)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.47
PLA2G2A P14555 2/20 0.43
F2 P00734 3/20 0.42
PRSS1 P07477 2/20 0.42
TP53 P04637 4/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
MCL1 Q07820 1/20 0.41
BAD Q92934 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL5899949 0.91 ICMT (0.42) ICMTPLA2G2AF2PRSS1TP53
SCHEMBL4657400 0.90 F10 (0.44) ICMTF2PRSS1CYSLTR2CYSLTR1
SCHEMBL4627926 0.88 PLA2G2A (0.54) ICMTPLA2G2AF2PRSS1TP53
SCHEMBL4657955 0.85 ICMT (0.46) ICMTPLA2G2AF2PRSS1TP53
SCHEMBL4626941 0.84 PLA2G2A (0.55) ICMTPLA2G2AF2PRSS1TP53
SCHEMBL4655418 0.82 PLA2G2A (0.49) ICMTPLA2G2AF2PRSS1TP53
SCHEMBL4656243 0.82 ICMT (0.47) ICMTPLA2G2AF2PRSS1TP53
SCHEMBL5899891 0.82 PLA2G2A (0.52) ICMTPLA2G2AF2PRSS1TP53
SCHEMBL5899844 0.82 PLAU (0.48) F2HDAC1HDAC8HDAC6
SCHEMBL4628154 0.81 ICMT (0.43) ICMTPLA2G2AF2PRSS1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP claimed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP claimed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed

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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 ICMT 2334/4885PLA2G2A 1334/4885F2 3/4885

“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.