SCHEMBL602254

SCHEMBL602254

O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(OC2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.78
NOX1 Q9Y5S8 5/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CSNK2A2 P19784 2/20 0.50
CSNK2A1 P68400 2/20 0.50
WNT3A P56704 3/20 0.49

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
SCHEMBL602253 1.00 DGAT1 (0.78) DGAT1NOX1NPC1RAB9AKDM4E
SCHEMBL601311 0.90 DGAT1 (0.75) DGAT1NOX1NPC1RAB9AWNT3A
SCHEMBL601312 0.90 DGAT1 (0.75) DGAT1NOX1NPC1RAB9AWNT3A
SCHEMBL3668678 0.90 DGAT1 (0.64) DGAT1NOX1NPC1RAB9AKDM4E
SCHEMBL603208 0.88 DGAT1 (1.00) DGAT1NOX1NPC1RAB9ASMN1; SMN2
SCHEMBL603209 0.88 DGAT1 (1.00) DGAT1NOX1NPC1RAB9ASMN1; SMN2
SCHEMBL601584 0.87 DGAT1 (0.85) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL601583 0.87 DGAT1 (0.85) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL600725 0.87 DGAT1 (0.76) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL601208 0.87 DGAT1 (0.76) DGAT1NPC1RAB9AKDM4ESMN1; SMN2

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-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US claimed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 DGAT1 3495/4885NOX1 194/4885NPC1 3170/4885

“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.