SCHEMBL4656243

SCHEMBL4656243

CNC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3cc(C(=N)N)ccc32)c(-c2ccc(OC)c(C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ICMT O60725 5/20 0.47
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PPARG P37231 2/20 0.40
CPT1A P50416 1/20 0.40
PLA2G2A P14555 2/20 0.39
TP53 P04637 1/20 0.39
BRD4 O60885 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F10 P00742 2/20 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 0.90 ICMT (0.42) ICMTCYSLTR2CYSLTR1F2PRSS1
SCHEMBL4657990 0.86 PLA2G2A (0.49) ICMTCYSLTR2CYSLTR1F2PRSS1
SCHEMBL4658881 0.85 HDAC1 (0.42) ICMTF2PRSS1PPARGPLA2G2A
SCHEMBL5899841 0.84 HDAC1 (0.43) ICMTF2PRSS1PLA2G2ABRD4
SCHEMBL4626809 0.82 ICMT (0.47) ICMTCYSLTR2CYSLTR1F2PRSS1
SCHEMBL4658856 0.81 PLA2G2A (0.43) CYSLTR2CYSLTR1F2PRSS1PPARG
SCHEMBL5899946 0.79 PLA2G2A (0.47) ICMTF2PRSS1PPARGPLA2G2A
SCHEMBL5899891 0.79 PLA2G2A (0.52) ICMTCYSLTR2CYSLTR1F2PRSS1
SCHEMBL4656156 0.79 PLA2G2A (0.51) ICMTF2PRSS1PLA2G2ATP53
SCHEMBL5900071 0.78 MTNR1A (0.47) F2PRSS1PPARGPLA2G2ATP53

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 2334/4885CYSLTR2 1572/4885CYSLTR1 1396/4885

“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.