SCHEMBL4274332

SCHEMBL4274332

CS(=O)(=O)c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCCCN2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.51
EGFR P00533 3/20 0.48
F10 P00742 9/20 0.46
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
F2 P00734 1/20 0.42
EPHX2 P34913 2/20 0.42
KIF18A Q8NI77 2/20 0.42
GCK P35557 1/20 0.41
MET P08581 1/20 0.40

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
Hydrochloric Acid SCHEMBL4269655 0.99 TRPV4 (0.51) TRPV4EGFRF10HTR2AHTR2C
SCHEMBL4272052 0.90 TRPV4 (0.54) TRPV4EGFRF10HTR2AHTR2C
SCHEMBL4272045 0.88 NPC1 (0.53) TRPV4EGFRF10HTR2AHTR2C
SCHEMBL4270154 0.87 F10 (0.44) TRPV4F10KIF18A
SCHEMBL4270815 0.86 F10 (0.57) F10
Hydrochloric Acid SCHEMBL4270894 0.85 F10 (0.56) F10
SCHEMBL4269686 0.85 F10 (0.54) F10
SCHEMBL4276111 0.85 F10 (0.49) F10
Hydrochloric Acid SCHEMBL4277221 0.84 F10 (0.53) F10
SCHEMBL4277306 0.84 F10 (0.51) F10

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
US-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP disclosed
EP-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 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-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 TRPV4 3065/4885EGFR 2963/4885F10 16/4885

“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.