SCHEMBL999151

SCHEMBL999151

O=S(=O)(Oc1ncc(F)c2ccccc12)Oc1ncc(F)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
PLK4 O00444 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
NTRK1 P04629 1/20 0.30
INSR P06213 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CDK1 P06493 1/20 0.30
FES P07332 1/20 0.30

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
SCHEMBL31399703 0.76 ALDH1A1 (0.54) ALDH1A1ESR1CYP1A2CYP2C19TSHR
SCHEMBL23795318 0.76 ALDH1A1 (0.54) ALDH1A1ESR1CYP1A2CYP2C19TSHR
SCHEMBL27739484 0.69 CYP2A6 (0.50) ALDH1A1CYP2C19TSHR
SCHEMBL12072176 0.65 KDM4E (0.48) ALDH1A1CYP1A2CYP2C19ALOX5APFEN1
SCHEMBL28507433 0.65 KDM4E (0.37) ALDH1A1CYP1A2CYP2C19PLK4AURKA
SCHEMBL24876036 0.65 HPRT1 (0.33) ALDH1A1PLK4AURKAPDPK1JAK2
SCHEMBL15428059 0.65 CYP2A6 (0.43) ALDH1A1ESR1CYP1A2
SCHEMBL19932296 0.65 KDM4E (0.38) ALOX5APFEN1PLK4AURKAPDPK1
SCHEMBL3141268 0.65 PDE4A (0.43) ALDH1A1CYP1A2AURKA
SCHEMBL29773646 0.64 ERN1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852421-B1 PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF KOWA CO (JP) 2011-05-04 EP claimed
US-7872136-B2 Process for production of 4-fluoroisoquinoline-5-sulfonyl halide or salt thereof KOWA CO., LTD. (JP) 2011-01-18 US claimed
US-20090209765-A1 PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF KOWA CO., LTD. (JP) 2009-08-20 US claimed
EP-1852421-A1 PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF Kowa Company, Ltd. (JP) 2007-11-07 EP claimed
EP-1852421-B1 PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF KOWA CO (JP) 2011-05-04 EP disclosed
US-7872136-B2 Process for production of 4-fluoroisoquinoline-5-sulfonyl halide or salt thereof KOWA CO., LTD. (JP) 2011-01-18 US disclosed
US-20090209765-A1 PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF KOWA CO., LTD. (JP) 2009-08-20 US disclosed
EP-1852421-A1 PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF Kowa Company, Ltd. (JP) 2007-11-07 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 (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-20090209765-A1 PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF SALL4, STS, SFPQ ALDH1A1 783/4885ESR1 4794/4885CYP1A2 968/4885

“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.