SCHEMBL6543950

SCHEMBL6543950

Nc1ccc(CCCC(NC(=O)O)C(=O)N2CCC(=C(F)F)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.60
F10 P00742 3/20 0.60
PPID Q08752 1/20 0.33
P2RY12 Q9H244 5/20 0.32
TGM2 P21980 3/20 0.32
CCKBR P32239 1/20 0.31
NPY1R P25929 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM1A O60341 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL6543946 1.00 F2 (0.60) F2F10PPIDP2RY12TGM2
SCHEMBL6544384 0.88 F2 (0.48) F2F10P2RY12TGM2CCKBR
SCHEMBL6544377 0.88 F2 (0.48) F2F10P2RY12TGM2CCKBR
SCHEMBL6604658 0.85 F2 (0.53) F2F10
SCHEMBL6604650 0.85 F2 (0.53) F2F10
Hydrochloric Acid SCHEMBL6543162 0.84 F2 (0.55) F2F10
Hydrochloric Acid SCHEMBL6543158 0.84 F2 (0.55) F2F10
SCHEMBL6606793 0.83 F2 (0.45) F2F10CCKBR
SCHEMBL7137947 0.80 F2 (0.50) F2F10
SCHEMBL7137941 0.80 F2 (0.50) F2F10

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
EP-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-6680329-B2 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-SYNTHELABO (FR) 2004-01-20 US disclosed
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-AVENTIS (FR) 2003-11-06 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-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants PROC, VKORC1, SERPINC1 F2 7/4885F10 99/4885PPID 535/4885

“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.