SCHEMBL5609984

SCHEMBL5609984

[O]c1c(F)c(F)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1B1 Q16678 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
CDC25B P30305 1/20 0.37
CYP3A4 P08684 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
AHR P35869 1/20 0.35
CYP1A1 P04798 1/20 0.35
PRKDC P78527 1/20 0.35
CYP2A6 P11509 3/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL30366616 0.79 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL1249585 0.79 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL7305920 0.77 DAO (0.38) ALDH1A1HSD17B10CYP1A2KDM4EHPGD
SCHEMBL82369 0.76 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL8729583 0.74 HPRT1 (0.41) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL8729581 0.74 HPRT1 (0.41) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL14902935 0.74 CYP2A6 (0.45) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL4247740 0.74 PTPN22 (0.45) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL29080195 0.74 POLB (0.42) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
Hydrogen Sulfide SCHEMBL27992662 0.74 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 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 (3 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 HPRT1 3607/4885ALDH1A1 2128/4885HSD17B10 492/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 HPRT1 2441/4885ALDH1A1 3508/4885HSD17B10 141/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 HPRT1 3607/4885ALDH1A1 2128/4885HSD17B10 492/4885

“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.