SCHEMBL604206

SCHEMBL604206

COC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)Nc3nnc(COC4CCCC4)s3)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.83
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLS O94925 1/20 0.46
KDM4E B2RXH2 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
MMP13 P45452 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 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 0.91 DGAT1 (1.00) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL601432 0.91 DGAT1 (1.00) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
Bicarbonate SCHEMBL15656215 0.88 DGAT1 (0.85) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL601585 0.83 DGAT1 (0.84) DGAT1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL603236 0.83 DGAT1 (0.84) DGAT1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL603364 0.83 DGAT1 (0.81) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL602660 0.81 DGAT1 (0.84) DGAT1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL600853 0.81 DGAT1 (0.84) DGAT1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL600877 0.78 DGAT1 (0.77) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL600878 0.78 DGAT1 (0.77) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2115/4885NPC1 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.