SCHEMBL15775795

SCHEMBL15775795

CC(C)(C)OC(=O)Nc1conc1-c1ccc(C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.40
CYP17A1 P05093 3/20 0.39
PSMB8 P28062 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MIF P14174 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATR Q13535 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
SCN9A Q15858 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL15775779 0.86 LPAR1 (0.41) LPAR1CYP17A1PSMB8MIFBRD9
SCHEMBL15776042 0.83 PTGS2 (0.42) LPAR1PSMB8TRPV1HDAC3HDAC1
SCHEMBL15776778 0.83 PTGS2 (0.42) LPAR1PSMB8TRPV1HDAC3HDAC1
SCHEMBL15776043 0.83 LPAR1 (0.46) LPAR1CYP17A1PSMB8SCN9AHDAC3
SCHEMBL15776040 0.82 TRPV1 (0.38) LPAR1CYP17A1PSMB8TRPV1HDAC3
SCHEMBL15775784 0.82 EGLN2 (0.47) LPAR1CYP17A1PSMB8
SCHEMBL15776816 0.82 LPAR1 (0.45) LPAR1CYP17A1PSMB8SCN9AHDAC3
SCHEMBL15776537 0.77 LPAR1 (0.45) LPAR1CYP17A1
SCHEMBL15776023 0.76 PTPN1 (0.43) LPAR1CYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL15776441 0.75 NPC1 (0.45) LPAR1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290465-B2 Substituted isoxazole amine compounds as inhibitors of SCD1 HOFFMANN-LA ROCHE INC. (US) 2016-03-22 US disclosed
US-20150315160-A1 SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 HOFFMANN-LA ROCHE INC. 2015-11-05 US disclosed
EP-2925408-A1 SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
WO-2014086667-A1 SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO 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-20150315160-A1 SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 SCD, CPT1A, SCD5 LPAR1 1113/4885CYP17A1 1034/4885PSMB8 4696/4885

“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.