SCHEMBL3176296

SCHEMBL3176296

CC(=O)c1cccc(C(Cc2ccccc2)NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.54
F11 P03951 11/20 0.53
ACACB O00763 2/20 0.47
ACACA Q13085 2/20 0.47

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
SCHEMBL13524383 0.90 F11 (0.67) ATMKMT2AMEN1F11
SCHEMBL13524378 0.89 ATM (0.56) ATMKMT2AMEN1F11
SCHEMBL3159697 0.89 ATM (0.56) ATMKMT2AMEN1F11
SCHEMBL3159727 0.89 ATM (0.56) ATMKMT2AMEN1F11
SCHEMBL3166877 0.89 ATM (0.56) ATMKMT2AMEN1F11
SCHEMBL3173676 0.85 F11 (0.64) ATMKMT2AMEN1F11
SCHEMBL3177393 0.85 ATM (0.58) ATMKMT2AMEN1F11ACACB
SCHEMBL2106580 0.84 F11 (0.70) ATMKMT2AMEN1F11ACACB
SCHEMBL2106583 0.84 F11 (0.70) ATMKMT2AMEN1F11ACACB
SCHEMBL5344125 0.84 ACACB (0.49) ATMKMT2AMEN1ACACBACACA

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-1841504-B1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 ATM 1660/4885KMT2A 1115/4885MEN1 1713/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 ATM 1660/4885KMT2A 1115/4885MEN1 1713/4885

“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.