SCHEMBL603170

SCHEMBL603170

O=C(CCc1nnc(NC(=O)c2ccc(OC3CCC(C(=O)O)CC3)cc2)s1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.75
GLS O94925 4/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SRC P12931 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ABL1 P00519 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL603169 1.00 DGAT1 (0.75) DGAT1GLSNPC1RAB9ASRC
Bicarbonate SCHEMBL15655183 0.90 DGAT1 (0.61) DGAT1GLSNPC1RAB9ASRC
SCHEMBL601025 0.86 DGAT1 (1.00) DGAT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL603741 0.86 DGAT1 (1.00) DGAT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL601024 0.86 DGAT1 (1.00) DGAT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL601361 0.84 DGAT1 (0.75) DGAT1GLSNPC1RAB9ASMN1; SMN2
SCHEMBL601362 0.84 DGAT1 (0.75) DGAT1GLSNPC1RAB9ASMN1; SMN2
SCHEMBL601208 0.81 DGAT1 (0.76) DGAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL600725 0.81 DGAT1 (0.76) DGAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL600726 0.81 DGAT1 (0.76) DGAT1NPC1RAB9ASMN1; SMN2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP claimed
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-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
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
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 DGAT1 3495/4885GLS 181/4885NPC1 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.