SCHEMBL6465654

SCHEMBL6465654

COCCOCOc1ccc(C(C#N)CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.47
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL6461269 0.89 KMT2A (0.40) FFAR1KMT2AF2ELANE
SCHEMBL6460113 0.82 CTNNB1 (0.36) KMT2AF2ELANE
SCHEMBL5250987 0.78 FFAR1 (0.75) FFAR1POLB
SCHEMBL10523729 0.78 MMP9 (0.63) FFAR1POLBTDP1L3MBTL1
SCHEMBL6465725 0.76 TDP1 (0.50) FFAR1KMT2APOLBTDP1L3MBTL1
SCHEMBL17144644 0.73 FFAR1 (0.44) FFAR1KMT2A
SCHEMBL10260682 0.73 FFAR1 (0.62) FFAR1KMT2APOLBTDP1L3MBTL1
SCHEMBL1586362 0.72 PLA2G4B (0.50) POLBL3MBTL1
SCHEMBL1503531 0.71 PKM (0.56) POLBL3MBTL1
SCHEMBL12855509 0.71 KMT2A (0.45) KMT2APOLBTDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. 2005-09-15 US disclosed
EP-1474400-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-11-10 EP disclosed
WO-2003068756-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-08-21 WO 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 (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-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors F7, HABP2, F13B FFAR1 3663/4885KMT2A 1487/4885POLB 2396/4885

“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.