SCHEMBL8089129

SCHEMBL8089129

OCCSSc1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.67
ALDH1A1 P00352 4/20 0.66
HSD17B10 Q99714 3/20 0.66
HPGD P15428 2/20 0.66
ADRA2A P08913 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
DRD2 P14416 1/20 0.66
ALOX15 P16050 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
DRD1 P21728 1/20 0.66
MC5R P33032 1/20 0.66
OPRM1 P35372 1/20 0.66
DRD3 P35462 1/20 0.66
OPRK1 P41145 1/20 0.66
CCR2 P41597 1/20 0.66
HTR6 P50406 1/20 0.66
SLC6A3 Q01959 1/20 0.66
PDK1 Q15118 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL7935498 0.90 ALDH1A1 (0.75) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL7938696 0.87 FBP1 (0.71) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL7935808 0.87 FBP1 (0.71) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL7938987 0.85 FBP1 (0.69) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL7935433 0.85 FBP1 (0.69) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL7926908 0.85 FBP1 (0.69) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL7936753 0.85 FBP1 (0.69) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL1133179 0.85 FBP1 (0.69) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL29113948 0.84 FBP1 (0.77) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL745752 0.83 CYP1A2 (0.80) FBP1ALDH1A1HSD17B10HPGDADRA2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367051-B2 Preparation of functional gel particles with a dual crosslink network CARNEGIE MELLON UNIVERSITY (US) 2013-02-05 US disclosed
US-8367051-B2 Preparation of functional gel particles with a dual crosslink network CARNEGIE MELLON UNIVERSITY (US) 2013-02-05 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20100143286-A1 Preparation of functional gel particles with a dual crosslink network CARNEGIE MELLON UNIVERSITY (US) 2010-06-10 US disclosed
US-20100143286-A1 Preparation of functional gel particles with a dual crosslink network CARNEGIE MELLON UNIVERSITY (US) 2010-06-10 US disclosed
WO-2008057163-A2 PREPARATION OF FUNCTIONAL GEL PARTICLES WITH A DUAL CROSSLINK NETWORK CARNEGIE MELLON UNIVERSITY (US) 2008-05-15 WO disclosed
EP-0590457-B1 Benzothiazole derivatives as vulcanisation accelerators suitable for the introduction of polar substituents BAYER AG (DE) 2000-12-06 EP disclosed
US-6140427-A 2-(SUBSTITUTED ALKYLTHIO)BENZOTHIAZOLE DERIVATIVES WHICH EFFECT CHAIN TRANSFER OF RUBBER SIDE CHAINS DURING VULCANIZATION BAYER AG (DE) 2000-10-31 US disclosed
EP-0590457-A1 Benzothiazole derivatives as vulcanisation accelerators suitable for the introduction of polar substituents BAYER AG (DE) 1994-04-06 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 (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-20100143286-A1 Preparation of functional gel particles with a dual crosslink network PLG, F2, PLAT FBP1 3613/4885ALDH1A1 2150/4885HSD17B10 3408/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL FBP1 3149/4885ALDH1A1 533/4885HSD17B10 2891/4885

“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.