SCHEMBL3072708

SCHEMBL3072708

Nc1ccc(O)cc1F.O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CASP6 P55212 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
NT5E P21589 4/20 0.45
LMNA P02545 1/20 0.44
NSD2 O96028 3/20 0.42
SNCA P37840 2/20 0.42
DUSP3 P51452 1/20 0.42

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
SCHEMBL5734698 0.83 CA1 (0.68) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL1893729 0.81 LMNA (0.60) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29429154 0.81 LMNA (0.60) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL565054 0.81 LMNA (0.60) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL574853 0.79 LMNA (0.58) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL5696247 0.79 LMNA (0.58) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL16628504 0.79 LMNA (0.58) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL1433007 0.79 LMNA (0.58) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL8782088 0.79 LMNA (0.58) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL5696255 0.79 LMNA (0.58) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19

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-8377938-B2 Phenoxypyridine derivative salts and crystals thereof, and process for preparing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-19 US disclosed
US-7790885-B2 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-07 US disclosed
US-20080318924-A1 PHENOXYPYRIDINE DERIVATIVE SALTS AND CRYSTALS THEREOF, AND PROCESS FOR PREPARING THE SAME EISAI R&D MANAGEMENT CO., LTD (JP) 2008-12-25 US disclosed
US-20080214815-A1 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-04 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-20080318924-A1 PHENOXYPYRIDINE DERIVATIVE SALTS AND CRYSTALS THEREOF, AND PROCESS FOR PREPARING THE SAME HGF, MET, FLT1 HSD17B10 1574/4885ALDH1A1 599/4885CASP6 2971/4885
US-20080214815-A1 Process for preparing phenoxypyridine derivatives FIP1L1, SKP1, TET2 HSD17B10 4167/4885ALDH1A1 2045/4885CASP6 3570/4885

“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.