SCHEMBL601583

SCHEMBL601583

O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)nc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.85
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SRC P12931 2/20 0.57
CASP3 P42574 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 1/20 0.57
ABL1 P00519 2/20 0.55
RXFP1 Q9HBX9 1/20 0.52
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL601584 1.00 DGAT1 (0.85) DGAT1NPC1RAB9ASRCCASP3
SCHEMBL603209 0.92 DGAT1 (1.00) DGAT1NPC1RAB9ARXFP1ALDH1A1
SCHEMBL603208 0.92 DGAT1 (1.00) DGAT1NPC1RAB9ARXFP1ALDH1A1
Bicarbonate SCHEMBL15654778 0.90 DGAT1 (0.69) DGAT1NPC1RAB9ASRCCASP3
SCHEMBL602253 0.87 DGAT1 (0.78) DGAT1NPC1RAB9ARXFP1KDM4E
SCHEMBL602254 0.87 DGAT1 (0.78) DGAT1NPC1RAB9ARXFP1KDM4E
SCHEMBL601071 0.85 DGAT1 (1.00) DGAT1NPC1RAB9ASRCABL1
SCHEMBL601072 0.85 DGAT1 (1.00) DGAT1NPC1RAB9ASRCABL1
SCHEMBL600878 0.84 DGAT1 (0.77) DGAT1NPC1RAB9ARXFP1ALDH1A1
SCHEMBL600877 0.84 DGAT1 (0.77) DGAT1NPC1RAB9ARXFP1ALDH1A1

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 5 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-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.