SCHEMBL600877

SCHEMBL600877

O=C(Nc1nnc(COC2CCCC2)s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.77
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
SOAT1 P35610 1/20 0.39

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
SCHEMBL600878 1.00 DGAT1 (0.77) DGAT1RAB9AMAPTPKMALDH1A1
Bicarbonate SCHEMBL15654982 0.93 DGAT1 (0.65) DGAT1RAB9AMAPTPKMALDH1A1
SCHEMBL603963 0.87 DGAT1 (1.00) DGAT1RAB9AALDH1A1RXFP1SMN1; SMN2
SCHEMBL601432 0.87 DGAT1 (1.00) DGAT1RAB9AALDH1A1RXFP1SMN1; SMN2
SCHEMBL603208 0.85 DGAT1 (1.00) DGAT1RAB9AALDH1A1RXFP1NOX1
SCHEMBL603209 0.85 DGAT1 (1.00) DGAT1RAB9AALDH1A1RXFP1NOX1
SCHEMBL601583 0.84 DGAT1 (0.85) DGAT1RAB9AALDH1A1RXFP1SMN1; SMN2
SCHEMBL601584 0.84 DGAT1 (0.85) DGAT1RAB9AALDH1A1RXFP1SMN1; SMN2
SCHEMBL602253 0.81 DGAT1 (0.78) DGAT1RAB9ARXFP1NOX1SMN1; SMN2
SCHEMBL602254 0.81 DGAT1 (0.78) DGAT1RAB9ARXFP1NOX1SMN1; 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 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 3495/4885RAB9A 3120/4885MAPT 2666/4885

“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.