SCHEMBL6329340

SCHEMBL6329340

COCC(C)c1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
ALDH1A1 P00352 7/20 0.36
CASR P41180 1/20 0.36
HSD17B10 Q99714 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 1/20 0.35
SNCA P37840 1/20 0.34
PTGER4 P35408 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9615906 0.83 HTT (0.43) HTTALDH1A1HSD17B10GAAMEN1
SCHEMBL9614139 0.81 HTT (0.42) HTTALDH1A1HSD17B10GAAALOX15
SCHEMBL8971719 0.80 CA2 (0.42) HTTALDH1A1HSD17B10GAAS1PR3
SCHEMBL1225025 0.80 HTT (0.38) HTTALDH1A1CASRHSD17B10GAA
SCHEMBL17417188 0.79 HTT (0.54) HTTALDH1A1HSD17B10GAAMEN1
SCHEMBL9101581 0.79 HTT (0.43) HTTALDH1A1HSD17B10GAASNCA
SCHEMBL15641681 0.78 HTT (0.39) HTTALDH1A1HSD17B10GAAALOX15
SCHEMBL775990 0.76 HTT (0.41) HTTALDH1A1CASRHSD17B10GAA
SCHEMBL4026469 0.76 HTT (0.41) HTTALDH1A1HSD17B10GAAALOX15
SCHEMBL9568576 0.74 HTT (0.38) HTTALDH1A1CASRHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190112306-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-18 US disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 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 (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-20190112306-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS ITGB6, ITGA6, GP6 HTT 4488/4885ALDH1A1 1251/4885CASR 1212/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 HTT 2734/4885ALDH1A1 2220/4885CASR 4482/4885

“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.