SCHEMBL8516465

SCHEMBL8516465

c1ccc2sc(SSN3CCCCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HPGD P15428 4/20 0.62
FBP1 P09467 3/20 0.62
ALOX15 P16050 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD1 P21728 1/20 0.62
MC5R P33032 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
OPRK1 P41145 1/20 0.62
CCR2 P41597 1/20 0.62
HTR6 P50406 1/20 0.62
SLC6A3 Q01959 1/20 0.62
PDK1 Q15118 1/20 0.62

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
SCHEMBL9687490 1.00 ALDH1A1 (0.62) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL11873171 0.98 ALDH1A1 (0.64) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL11882398 0.92 ALDH1A1 (0.68) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL637062 0.85 ALDH1A1 (0.74) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL29392402 0.85 ALDH1A1 (0.74) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL9687398 0.85 ALDH1A1 (0.58) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL11545638 0.84 ALDH1A1 (0.73) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL10794271 0.84 ALDH1A1 (0.73) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL30514153 0.83 ALDH1A1 (0.75) ALDH1A1HPGDFBP1ALOX15HSD17B10
SCHEMBL1412338 0.83 ALDH1A1 (0.75) ALDH1A1HPGDFBP1ALOX15HSD17B10

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-9556324-B2 Anti-scorch compositions, methods of making the same, and articles prepared from the same DOW GLOBAL TECHNOLOGIES LLC (US) 2017-01-31 US disclosed
US-9115312-B2 Flame retardant BASF SE (DE) 2015-08-25 US disclosed
US-20130030066-A1 POLYMERIC FLAME RETARDANT BASF SE (DE) 2013-01-31 US disclosed
US-20120178865-A1 ANTI-SCORCH COMPOSITIONS, METHODS OF MAKING THE SAME, AND ARTICLES PREPARED FROM THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-07-12 US disclosed
EP-2091930-B1 CROSSLINKER FOR VULCANIZATION, PROCESS FOR ITS PREPARATION AND RUBBER PRODUCTS GRIBOV IOURII (DE) 2012-05-30 EP disclosed
US-20110245360-A1 FLAME RETARDANT BASF SE (DE) 2011-10-06 US disclosed
EP-0481366-A1 Process for the preparation of 2-Aminodithiothiazoles and 2-Aminotrithiothiazoles Akzo Nobel N.V. (NL) 1992-04-22 EP disclosed
US-4017489-A Process of preparing unsymmetrical disulfides THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-04-12 US disclosed
US-3899460-A 2-(Piperidinodithio)benzothiazoles GOODYEAR TIRE & RUBBER 1975-08-12 US 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-20130030066-A1 POLYMERIC FLAME RETARDANT RTN3, NR4A3, FFAR3 ALDH1A1 4452/4885HPGD 4716/4885FBP1 2301/4885

“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.