SCHEMBL2391475

SCHEMBL2391475

CC(=O)c1ccc(C(=O)N[C@H]2C[S@@+]([O-])C2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMYD3 Q9H7B4 1/20 0.40
GLA P06280 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CRBN Q96SW2 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK14 Q16539 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL2391473 1.00 NPC1 (0.40) NPC1RAB9ASMYD3GLASMN1; SMN2
SCHEMBL2368563 0.80 NPC1 (0.42) NPC1RAB9ASMYD3GLASMN1; SMN2
SCHEMBL27828404 0.80 NPC1 (0.63) NPC1RAB9AGLASMN1; SMN2HPGD
SCHEMBL2394499 0.79 SMN1; SMN2 (0.52) NPC1RAB9ASMYD3GLASMN1; SMN2
SCHEMBL2394493 0.79 GLA (0.43) NPC1RAB9ASMYD3GLASMN1; SMN2
SCHEMBL15881932 0.75 NPC1 (0.33) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL15881933 0.75 NPC1 (0.33) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL31435866 0.72 HDAC8 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18670611 0.71 SMN1; SMN2 (0.36) NPC1RAB9ASMYD3GLASMN1; SMN2
SCHEMBL2901313 0.71 POLB (0.37) NPC1RAB9ASMN1; SMN2TAS1R3TAS1R1

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 7 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
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.