SCHEMBL2361983

SCHEMBL2361983

Fc1cc(F)c2c(c1)NCCO2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FABP6 P51161 1/20 0.37
PIK3CD O00329 3/20 0.35
BTK Q06187 3/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
AR P10275 2/20 0.35
EGFR P00533 1/20 0.34
PARP1 P09874 1/20 0.31
DHFR P00374 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
SCHEMBL21372201 0.81 ALDH1A1 (0.35) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL13035938 0.81 ALDH1A1 (0.35) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL12116975 0.81 ALDH1A1 (0.50) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL29620781 0.81 ALDH1A1 (0.35) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL24254608 0.81 ADRA2A (0.37) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL25367179 0.79 AR (0.36) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL3328643 0.78 AR (0.35) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL3329757 0.78 DHFR (0.34) ALDH1A1GAAMAPTHSD17B10PIK3CD
SCHEMBL16655910 0.78 PIK3CD (0.33) ALDH1A1GAAMAPTHSD17B10PIK3CD
SCHEMBL13036607 0.78 ALDH1A1 (0.36) ALDH1A1GAAMAPTHSD17B10PIK3CD

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-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010049302-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 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 (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-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R ALDH1A1 341/4885GAA 1013/4885MAPT 3647/4885

“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.