SCHEMBL386556

SCHEMBL386556

O=S(=O)(NCCO)c1cc(F)c(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ILK Q13418 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
FEN1 P39748 4/20 0.39
ALOX5AP P20292 3/20 0.39
GSTO1 P78417 1/20 0.39
NR3C1 P04150 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
CYP2C19 P33261 2/20 0.37
HSD11B1 P28845 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL1347146 0.94 ALDH1A1 (0.43) ALDH1A1ILKGAAPKMFEN1
SCHEMBL30309723 0.86 ALDH1A1 (0.50) ALDH1A1ILKGAAPKMFEN1
SCHEMBL20743534 0.86 ALDH1A1 (0.50) ALDH1A1ILKGAAPKMFEN1
SCHEMBL2553031 0.79 NMT1 (0.47) ALDH1A1GAAPKMFEN1ALOX5AP
SCHEMBL30309700 0.79 NMT1 (0.47) ALDH1A1GAAPKMFEN1ALOX5AP
SCHEMBL14552588 0.79 GAA (0.43) ALDH1A1GAAPKMFEN1ALOX5AP
SCHEMBL1775171 0.79 LMNA (0.51) ALDH1A1GAAPKMFEN1ALOX5AP
SCHEMBL24496279 0.76 ALDH1A1 (0.56) ALDH1A1GAAPKMCYP2C19PDK1
SCHEMBL29648426 0.76 ALDH1A1 (0.56) ALDH1A1GAAPKMCYP2C19PDK1
SCHEMBL1348432 0.75 CYP2C9 (0.50) ALDH1A1GAAPKMCYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ALDH1A1 1087/4885ILK 4864/4885GAA 249/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ALDH1A1 1087/4885ILK 4864/4885GAA 249/4885

“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.