SCHEMBL601328

SCHEMBL601328

O=C(Nc1nnc(CC[C@@H]2CC[C@H](N3CCOCC3)C2)s1)c1ccc(OC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.58
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
WNT3A P56704 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL601327 1.00 DGAT1 (0.58) DGAT1ALDH1A1L3MBTL1SMN1; SMN2WNT3A
SCHEMBL601329 1.00 DGAT1 (0.58) DGAT1ALDH1A1L3MBTL1SMN1; SMN2WNT3A
Bicarbonate SCHEMBL15655923 0.92 DGAT1 (0.52) DGAT1ALDH1A1L3MBTL1SMN1; SMN2HRH3
SCHEMBL601362 0.83 DGAT1 (0.75) DGAT1SMN1; SMN2
SCHEMBL601361 0.83 DGAT1 (0.75) DGAT1SMN1; SMN2
SCHEMBL603169 0.75 DGAT1 (0.75) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL603170 0.75 DGAT1 (0.75) DGAT1ALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL15655650 0.75 DGAT1 (0.65) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL603741 0.74 DGAT1 (1.00) DGAT1SMN1; SMN2
SCHEMBL601024 0.74 DGAT1 (1.00) DGAT1SMN1; 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 3495/4885ALDH1A1 126/4885L3MBTL1 4641/4885

“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.