SCHEMBL2368563

SCHEMBL2368563

CC(=O)c1ccc(C(=O)NC2CSC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMYD3 Q9H7B4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
GLA P06280 2/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 3/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 1/20 0.37
CHEK1 O14757 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
SCHEMBL2394493 0.81 GLA (0.43) NPC1RAB9ASMYD3SMN1; SMN2GLA
SCHEMBL2394499 0.81 SMN1; SMN2 (0.52) NPC1RAB9ASMYD3SMN1; SMN2GLA
SCHEMBL2391473 0.80 NPC1 (0.40) NPC1RAB9ASMYD3SMN1; SMN2GLA
SCHEMBL2391475 0.80 NPC1 (0.40) NPC1RAB9ASMYD3SMN1; SMN2GLA
SCHEMBL14721548 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GLAHPGD
SCHEMBL2707315 0.76 S100A4 (0.34) NPC1RAB9AGLATAS1R3TAS1R1
SCHEMBL18413476 0.76 RAB9A (0.33) NPC1RAB9ASMN1; SMN2GLATAS1R3
SCHEMBL14961948 0.76 S100A4 (0.34) NPC1RAB9AGLATAS1R3TAS1R1
SCHEMBL31435866 0.74 HDAC8 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL18670611 0.73 SMN1; SMN2 (0.36) NPC1RAB9ASMYD3SMN1; SMN2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539335-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-21 EP disclosed
EP-2539335-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-21 EP disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
EP-2539335-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 WO disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 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-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES CYP1A2, CHRM1, CYP1A1 NPC1 3640/4885RAB9A 2340/4885SMYD3 4228/4885

“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.