SCHEMBL602048

SCHEMBL602048

O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(C2CCC([C@H]3C[C@@H]3C(=O)O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.56
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL10240275 1.00 DGAT1 (0.56) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL602049 1.00 DGAT1 (0.56) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13255539 0.85 DGAT1 (0.59) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3669152 0.84 DGAT1 (0.57) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL603146 0.84 DGAT1 (0.80) DGAT1
SCHEMBL601428 0.75 DGAT1 (0.65) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL601455 0.75 DGAT1 (0.65) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL601621 0.73 DGAT1 (0.82) DGAT1
SCHEMBL601620 0.73 DGAT1 (0.82) DGAT1
SCHEMBL3669325 0.73 DGAT1 (0.52) 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 4 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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 3495/4885NPC1 3170/4885RAB9A 3120/4885

“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.