SCHEMBL6461269

SCHEMBL6461269

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
CTNNB1 P35222 1/20 0.38
FFAR1 O14842 10/20 0.36
ACACB O00763 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
GPR88 Q9GZN0 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6465654 0.89 FFAR1 (0.47) KMT2AFFAR1F2ELANE
SCHEMBL6460113 0.81 CTNNB1 (0.36) KMT2ACTNNB1MAPK1SMN1; SMN2F2
SCHEMBL6465718 0.80 L3MBTL1 (0.40) HTTCTNNB1MAPK1SMN1; SMN2GPR88
SCHEMBL31467205 0.77 HTT (0.48) KMT2AHTTFFAR1SMN1; SMN2
SCHEMBL435332 0.77 ESR1 (0.51) KMT2AHTT
SCHEMBL14886863 0.77 ESR1 (0.51) KMT2AHTT
SCHEMBL30529996 0.76 L3MBTL1 (0.46) KMT2AHTTFFAR1
SCHEMBL27904916 0.75 KCNA5 (0.47) KMT2AHTT
SCHEMBL27879125 0.75 KCNA5 (0.47) KMT2AHTT
SCHEMBL27862776 0.75 KCNA5 (0.47) KMT2AHTT

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 KMT2A 1487/4885HTT 3263/4885CTNNB1 618/4885

“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.