SCHEMBL4658570

SCHEMBL4658570

COc1ccc(-c2cc(C(=O)N(C)C)ccc2Cn2cc(Cc3ccccc3)c3cc(C(=N)N)ccc32)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.49
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR6 P50406 1/20 0.42
F2 P00734 3/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PRSS1 P07477 1/20 0.41
ICMT O60725 2/20 0.40
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G4A P47712 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PPARG P37231 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
SCHEMBL5899891 0.93 PLA2G2A (0.52) PLA2G2ALMNAALDH1A1HTR6F2
SCHEMBL4656156 0.92 PLA2G2A (0.51) PLA2G2ALMNAALDH1A1HTR6F2
SCHEMBL4656240 0.92 PLA2G2A (0.45) PLA2G2ALMNAALDH1A1HTR6F2
SCHEMBL4657990 0.90 PLA2G2A (0.49) PLA2G2ALMNAALDH1A1F2MTNR1A
SCHEMBL4627926 0.90 PLA2G2A (0.54) PLA2G2ALMNAALDH1A1HTR6F2
SCHEMBL4626941 0.89 PLA2G2A (0.55) PLA2G2ALMNAALDH1A1HTR6F2
SCHEMBL5899946 0.88 PLA2G2A (0.47) PLA2G2ALMNAALDH1A1F2MTNR1A
SCHEMBL5900071 0.87 MTNR1A (0.47) PLA2G2ALMNAALDH1A1F2MTNR1A
SCHEMBL4657664 0.87 PLA2G2A (0.47) PLA2G2ALMNAALDH1A1F2MTNR1A
SCHEMBL5899836 0.86 F7 (0.56) PLA2G2AF2PRSS1F10PLG

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 PLA2G2A 1334/4885LMNA 803/4885ALDH1A1 2594/4885

“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.