SCHEMBL4276022

SCHEMBL4276022

Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC[C@H](C)CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
METAP1 P53582 1/20 0.39
F10 P00742 3/20 0.38
RAB9A P51151 6/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPC1 O15118 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALOX15 P16050 2/20 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
SCHEMBL4272029 0.94 F10 (0.41) TSHRMAPK1NPSR1METAP1F10
SCHEMBL4270070 0.89 METAP1 (0.40) TSHRMAPK1NPSR1METAP1F10
SCHEMBL4278830 0.89 METAP1 (0.41) TSHRMAPK1NPSR1METAP1F10
SCHEMBL4283738 0.85 F10 (0.40) TSHRMAPK1NPSR1METAP1F10
SCHEMBL4276136 0.85 F10 (0.40) TSHRMAPK1NPSR1METAP1F10
SCHEMBL4272025 0.85 NPC1 (0.51) METAP1F10RAB9ASMN1; SMN2NPC1
SCHEMBL13608773 0.85 NPC1 (0.51) METAP1F10RAB9ASMN1; SMN2NPC1
SCHEMBL4276019 0.85 NPC1 (0.51) METAP1F10RAB9ASMN1; SMN2NPC1
SCHEMBL4269000 0.84 F10 (0.42) METAP1F10RAB9ANPC1MEN1
SCHEMBL13608775 0.84 F10 (0.42) METAP1F10RAB9ANPC1MEN1

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 TSHR 2692/4885MAPK1 416/4885NPSR1 1447/4885

“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.