SCHEMBL15775775

SCHEMBL15775775

CS(=O)(=O)c1ccc(COc2ccc(C=O)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.56
CYP4A11 Q02928 4/20 0.56
GPR119 Q8TDV5 11/20 0.47
PTPRZ1 P23471 1/20 0.42
GHSR Q92847 1/20 0.42
MMP13 P45452 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15776063 0.84 CYP4F2 (0.52) CYP4F2CYP4A11GPR119NPC1RAB9A
SCHEMBL15776065 0.84 CYP4F2 (0.52) CYP4F2CYP4A11GPR119NPC1RAB9A
SCHEMBL4548433 0.82 NPC1 (0.58) NPC1RAB9ATDP1
SCHEMBL15776007 0.81 CYP4F2 (0.60) CYP4F2CYP4A11GPR119PTPRZ1GHSR
SCHEMBL755968 0.80 MAOB (0.56) CYP4F2CYP4A11
SCHEMBL227169 0.79 P4HTM (0.58) RAB9A
SCHEMBL15776310 0.78 CYP4F2 (0.56) CYP4F2CYP4A11GPR119PTPRZ1GHSR
SCHEMBL14893219 0.77 HTR2A (0.40)
SCHEMBL12833592 0.77 CYP4F2 (0.54) CYP4F2CYP4A11GPR119GHSRMMP13
SCHEMBL15776018 0.75 CYP4F2 (0.53) CYP4F2CYP4A11GPR119

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 CYP4F2 446/4885CYP4A11 467/4885GPR119 39/4885

“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.