SCHEMBL4274191

SCHEMBL4274191

CC(C)c1ccc(C(=O)O)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PDE4B Q07343 4/20 0.48
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
GPR119 Q8TDV5 8/20 0.48
KDM1A O60341 1/20 0.46
TOP2A P11388 1/20 0.45

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
SCHEMBL4283761 0.89 ALDH1A1 (0.54) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL3156353 0.86 GPR119 (0.49) ALDH1A1PDE4BPDE4DPDE4APDE4C
SCHEMBL3164585 0.85 GPR119 (0.51) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3165672 0.84 MEN1 (0.53) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3160552 0.84 GPR119 (0.54) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3151575 0.84 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL4274190 0.84 PDE4B (0.46) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL3165435 0.83 PDE4B (0.54) ALDH1A1HTTPDE4BPDE4DPDE4A
SCHEMBL3163770 0.83 GPR119 (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3156761 0.83 GPR119 (0.54) PDE4BPDE4DPDE4APDE4CGPR119

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
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

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 NPC1 1622/4885ALDH1A1 715/4885MAPT 4532/4885

“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.