SCHEMBL4805301

SCHEMBL4805301

CCn1cc(Cc2ccc(C(=O)N(C)CC(N)=O)cc2-c2ccc(C)cc2C(=O)O)c2ccc(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.36
▸ PLA2G4A P47712 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ ITK Q08881 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ AR P10275 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.30
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL4815125 0.82 TSHR (0.33) KDM1APLA2G4ALTB4R
SCHEMBL4805310 0.81 PTGER4 (0.35) KDM1APLA2G4ALTB4RNR3C1PGR
SCHEMBL4812944 0.81 PLA2G4A (0.38) KDM1APLA2G4ALTB4R
SCHEMBL5168021 0.81 PTGER4 (0.38) KDM1APLA2G4ALTB4RNR3C1PGR
SCHEMBL4805981 0.79 ROCK2 (0.38) KDM1APLA2G4ALTB4RAR
SCHEMBL4812930 0.78 PLA2G4A (0.41) KDM1APLA2G4ALTB4RSLC22A12
SCHEMBL4810862 0.77 SLC22A12 (0.42) PLA2G4ALTB4RSLC22A12
SCHEMBL4815590 0.75 PLAU (0.38) SLC22A12
SCHEMBL4809827 0.73 PLA2G4A (0.42) PLA2G4ALTB4RNR3C1PGRNR3C2
SCHEMBL4815505 0.73 TSHR (0.36) KDM1APLA2G4ALTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 — — 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 (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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 KDM1A 405/4885PLA2G4A 271/4885LTB4R 588/4885

“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.

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