SCHEMBL4657664

SCHEMBL4657664

CCCNC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3cc(C(=N)N)ccc32)c(-c2ccc(OC)cc2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
F2 P00734 3/20 0.44
F10 P00742 3/20 0.44
PLG P00747 2/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
TP53 P04637 1/20 0.41
PRSS1 P07477 1/20 0.40
LMNA P02545 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.40
PPARG P37231 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL5900071 0.94 MTNR1A (0.47) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL5899946 0.94 PLA2G2A (0.47) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL4657990 0.92 PLA2G2A (0.49) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL5899836 0.91 F7 (0.56) PLA2G2AF2F10PLGF7
SCHEMBL5899891 0.90 PLA2G2A (0.52) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL4656156 0.90 PLA2G2A (0.51) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL4656237 0.90 F2 (0.45) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL4658856 0.88 PLA2G2A (0.43) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL4627926 0.87 PLA2G2A (0.54) PLA2G2AMTNR1AMTNR1BF2F10
SCHEMBL4658570 0.87 PLA2G2A (0.49) PLA2G2AMTNR1AMTNR1BF2F10

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 1334/4885MTNR1A 1083/4885MTNR1B 888/4885

“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.