SCHEMBL15427262

SCHEMBL15427262

CCCCOc1ncc(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.39
CYP2C9 P11712 8/20 0.39
CYP3A4 P08684 8/20 0.39
CYP2C19 P33261 7/20 0.39
CYP19A1 P11511 6/20 0.39
CYP1A2 P05177 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ACACB O00763 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
LTA4H P09960 1/20 0.36
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15677660 0.88 RXRA (0.37) NPC1RAB9ASMN1; SMN2ACACBLTA4H
Ammonia Solution, Strong SCHEMBL18985316 0.86 RXRA (0.36) NPC1RAB9ASMN1; SMN2ACACBLTA4H
SCHEMBL13827717 0.80 NPC1 (0.58) CYP2D6CYP2C9CYP3A4CYP2C19CYP19A1
SCHEMBL16631721 0.80 EDNRB (0.42) CYP2D6CYP2C9CYP3A4CYP2C19CYP19A1
SCHEMBL882458 0.78 RXRA (0.39) CYP1A2KDM4EACACBRXRAGRIN1
SCHEMBL25680732 0.77 TSHR (0.39) CYP2C9CYP3A4CYP2C19CYP1A2ACACB
SCHEMBL19732845 0.77 SYK (0.39) SMN1; SMN2KDM4ELTA4HRXRAGRIN1
SCHEMBL26151656 0.77 CYP2D6 (0.35) CYP2D6CYP2C9CYP3A4CYP2C19CYP19A1
SCHEMBL4268840 0.76 CYP2D6 (0.48) CYP2D6CYP2C9CYP3A4CYP2C19CYP19A1
SCHEMBL598441 0.75 CYP2D6 (0.43) CYP2D6CYP2C9CYP3A4CYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870153-B1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-02 EP disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-8680090-B2 Sulfonyl containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-25 US disclosed
WO-2014011513-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 WO disclosed
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE CYP2D6 1317/4885CYP2C9 1048/4885CYP3A4 903/4885

“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.