SCHEMBL2395035

SCHEMBL2395035

Cc1cc(C(=O)/C=C(\c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NC1CS(=O)(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 1/20 0.35
KMT2A Q03164 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TTK P33981 3/20 0.32
TP53 P04637 1/20 0.32
TNF P01375 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL2395044 1.00 GLA (0.39) GLASMN1; SMN2PIK3CAKMT2ADGAT2
SCHEMBL12291125 0.92 GLA (0.33) GLASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2395033 0.92 NPC1 (0.33) GLASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2395043 0.92 NPC1 (0.33) GLASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2369347 0.87 NPC1 (0.37) SMN1; SMN2NPC1RAB9AGRM5ALDH1A1
SCHEMBL2369342 0.87 NPC1 (0.37) SMN1; SMN2NPC1RAB9AGRM5ALDH1A1
SCHEMBL2369904 0.87 NPC1 (0.37) SMN1; SMN2NPC1RAB9AGRM5ALDH1A1
SCHEMBL15881933 0.86 NPC1 (0.33) KMT2ANPC1RAB9AGRM5ALDH1A1
SCHEMBL15881932 0.86 NPC1 (0.33) KMT2ANPC1RAB9AGRM5ALDH1A1
SCHEMBL18670600 0.80 TTK (0.33) KMT2ATTKTP53FLT1FLT4

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 GLA 3599/4885SMN1; SMN2 3572/4885PIK3CA 1307/4885

“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.