SCHEMBL4276136

SCHEMBL4276136

CO[C@H](CNC(=O)OC(C)(C)C)COc1cc(C)ccc1C(=O)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
METAP1 P53582 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4283738 1.00 F10 (0.40) F10NPC1RAB9AMETAP1KDM4E
SCHEMBL4272029 0.91 F10 (0.41) F10NPC1RAB9AMETAP1KDM4E
SCHEMBL4283736 0.91 NPC1 (0.52) F10NPC1RAB9AMETAP1KDM4E
SCHEMBL4276133 0.91 NPC1 (0.52) F10NPC1RAB9AMETAP1KDM4E
SCHEMBL4269613 0.90 F10 (0.41) F10NPC1RAB9AKDM4EMEN1
SCHEMBL4268680 0.90 F10 (0.41) F10NPC1RAB9AKDM4EMEN1
SCHEMBL4275970 0.90 F10 (0.38) F10NPC1RAB9AMETAP1KDM4E
SCHEMBL4276022 0.85 TSHR (0.39) F10NPC1RAB9AMETAP1KDM4E
SCHEMBL4276019 0.82 NPC1 (0.51) F10NPC1RAB9AMETAP1KDM4E
SCHEMBL13608773 0.82 NPC1 (0.51) F10NPC1RAB9AMETAP1KDM4E

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 F10 16/4885NPC1 1622/4885RAB9A 2540/4885

“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.