SCHEMBL4012816

SCHEMBL4012816

CS(=O)(=O)c1cccc(CF)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD2 P14416 3/20 0.44
NPC1 O15118 1/20 0.42
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ADRA1D P25100 1/20 0.40
HTR6 P50406 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GLA P06280 1/20 0.39
KIF11 P52732 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL7054313 0.82 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10DRD2NPC1
SCHEMBL8233359 0.82 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10DRD2NPC1
SCHEMBL15299815 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10NPC1TNFRAB9A
SCHEMBL533931 0.80 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10DRD2NPC1
SCHEMBL2378357 0.80 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10DRD2NPC1
SCHEMBL14406750 0.80 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10DRD2NPC1
SCHEMBL1127911 0.80 HTR6 (0.51) ALDH1A1GAAHSD17B10DRD2GRM2
SCHEMBL7049486 0.80 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10DRD2NPC1
SCHEMBL2542290 0.80 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10DRD2NPC1
SCHEMBL29411715 0.80 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10DRD2NPC1

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
US-9493439-B1 Proteasome inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-15 US disclosed
US-8216975-B2 Method of labelling soya varieties Syngenta Crop Protection Inc (US) 2012-07-10 US disclosed
US-8097774-B2 Cytochrome P450 genes conferring herbicide resistance SYNGENTA PARTICIPATIONS AG (CH) 2012-01-17 US disclosed
US-20100305095-A1 Use of HPPD Inhibitors in the Treatment of Depression and/or Withdrawal Symptoms Associated with Addictive Drugs SYNGENTA LIMITED (GB) 2010-12-02 US disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
US-20090011936-A1 Cytochrome P450 genes conferring herbicide resistance SYNGENTA PARTICIPATIONS AG 2009-01-08 US disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 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 (2 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-20100305095-A1 Use of HPPD Inhibitors in the Treatment of Depression and/or Withdrawal Symptoms Associated with Addictive Drugs HPD, PGD, PEPD ALDH1A1 63/4885GAA 130/4885HSD17B10 269/4885
US-20090011936-A1 Cytochrome P450 genes conferring herbicide resistance HPD, DDT, ATP5PD ALDH1A1 473/4885GAA 321/4885HSD17B10 46/4885

“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.