SCHEMBL4656237

SCHEMBL4656237

COc1ccc(-c2cc(C(=O)NCC3CC3)ccc2Cn2cc(Cc3ccccc3)c3cc(C(=N)N)ccc32)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.45
PRSS1 P07477 2/20 0.45
PLA2G2A P14555 2/20 0.44
F10 P00742 2/20 0.42
PLG P00747 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PPARG P37231 3/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL5899946 0.91 PLA2G2A (0.47) F2PRSS1PLA2G2AF10PLG
SCHEMBL4657990 0.90 PLA2G2A (0.49) F2PRSS1PLA2G2AF10PLG
SCHEMBL4657664 0.90 PLA2G2A (0.47) F2PRSS1PLA2G2AF10PLG
SCHEMBL5900071 0.90 MTNR1A (0.47) F2PRSS1PLA2G2AF10PLG
SCHEMBL5899836 0.89 F7 (0.56) F2PRSS1PLA2G2AF10PLG
SCHEMBL5899891 0.89 PLA2G2A (0.52) F2PRSS1PLA2G2AF10PLG
SCHEMBL4656156 0.88 PLA2G2A (0.51) F2PRSS1PLA2G2AF10PLG
SCHEMBL4658856 0.86 PLA2G2A (0.43) F2PRSS1PLA2G2AF10PLG
SCHEMBL4656240 0.86 PLA2G2A (0.45) F2PRSS1PLA2G2ACYSLTR2CYSLTR1
SCHEMBL4627926 0.85 PLA2G2A (0.54) F2PRSS1PLA2G2AF10PLG

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 F2 3/4885PRSS1 20/4885PLA2G2A 1334/4885

“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.