SCHEMBL601432

SCHEMBL601432

O=C(Nc1nnc(COC2CCCC2)s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 1.00
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLS O94925 1/20 0.43

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
SCHEMBL603963 1.00 DGAT1 (1.00) DGAT1SMN1; SMN2ALDH1A1RXFP1NPC1
Bicarbonate SCHEMBL15656215 0.92 DGAT1 (0.85) DGAT1SMN1; SMN2ALDH1A1RXFP1NPC1
SCHEMBL604206 0.91 DGAT1 (0.83) DGAT1SMN1; SMN2ALDH1A1RXFP1NPC1
SCHEMBL600878 0.87 DGAT1 (0.77) DGAT1SMN1; SMN2ALDH1A1RXFP1NPC1
SCHEMBL600877 0.87 DGAT1 (0.77) DGAT1SMN1; SMN2ALDH1A1RXFP1NPC1
SCHEMBL601362 0.86 DGAT1 (0.75) DGAT1SMN1; SMN2NPC1RAB9AGLS
SCHEMBL601361 0.86 DGAT1 (0.75) DGAT1SMN1; SMN2NPC1RAB9AGLS
SCHEMBL603741 0.83 DGAT1 (1.00) DGAT1SMN1; SMN2RXFP1NPC1RAB9A
SCHEMBL601025 0.83 DGAT1 (1.00) DGAT1SMN1; SMN2RXFP1NPC1RAB9A
SCHEMBL601024 0.83 DGAT1 (1.00) DGAT1SMN1; SMN2RXFP1NPC1RAB9A

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 3495/4885SMN1; SMN2 2115/4885ALDH1A1 126/4885

“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.