SCHEMBL4277228

SCHEMBL4277228

Cc1ccc(NC(=O)c2ncccc2NC(=O)c2ccc(S(C)(=O)=O)cc2OCCCNC(=O)OC(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STING1 Q86WV6 1/20 0.40
GCK P35557 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
METAP1 P53582 1/20 0.39
KIF18A Q8NI77 1/20 0.38
F10 P00742 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL4274122 0.92 F10 (0.47) CA12CA1CA2CA9NPC1
SCHEMBL4277208 0.90 F10 (0.46) CA12CA1CA2CA9NPC1
SCHEMBL4270617 0.87 F10 (0.46) NPC1RAB9AMITFTP53GAA
SCHEMBL4271133 0.85 F10 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL4270779 0.83 F10 (0.48) CA12CA1CA2CA9NPC1
SCHEMBL4279529 0.83 F10 (0.44) NPC1RAB9ARXFP1METAP1KIF18A
SCHEMBL4270180 0.82 F10 (0.43) NPC1RAB9ARXFP1METAP1F10
SCHEMBL3164008 0.81 F10 (0.59) F10
SCHEMBL13608775 0.81 F10 (0.42) NPC1RAB9ARXFP1METAP1KIF18A
SCHEMBL4269000 0.81 F10 (0.42) NPC1RAB9ARXFP1METAP1KIF18A

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 CA12 2871/4885CA1 1870/4885CA2 3854/4885

“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.