SCHEMBL3159335

SCHEMBL3159335

CCc1nc(COC)sc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL9643824 0.90 SMN1; SMN2 (0.36) HSD17B10NPC1RAB9ASMN1; SMN2POLB
SCHEMBL9644107 0.87 HSD17B10 (0.34) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL9642917 0.84 RAB9A (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9528440 0.82 RAB9A (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9644151 0.81 HSD17B10 (0.35) HSD17B10NPC1RAB9ASMN1; SMN2POLB
SCHEMBL9642897 0.79 MEN1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9120822 0.79 ALDH1A1 (0.50) HSD17B10KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9644904 0.79 ALDH1A1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9643916 0.77 ALDH1A1 (0.40) HSD17B10KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL9644225 0.76 ALDH1A1 (0.34) MEN1KMT2ANPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
CN-101052628-B Isoxazoline derivatives and herbicidal use thereof SYNGENTA LTD 2011-07-27 CN disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
CN-101052628-A Isoxazolines derivatives and its weedicide application ZENECA LTD (GB) 2007-10-10 CN disclosed
EP-1789401-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-05-30 EP disclosed
WO-2006024820-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-03-09 WO disclosed
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 EP 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-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 HSD17B10 1869/4885MEN1 755/4885KMT2A 1511/4885

“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.