SCHEMBL13601639

SCHEMBL13601639

Cc1cc(C(=O)O)ccc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
RORC P51449 4/20 0.48
SCN9A Q15858 2/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
TTR P02766 1/20 0.43
EP300 Q09472 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
SCHEMBL14089991 0.88 RXRA (0.54) CSNK2A2CSNK2BRXRARXRBRXRG
SCHEMBL14089937 0.83 CSNK2A2 (0.49) S1PR1CSNK2A2CSNK2BRXRARXRB
SCHEMBL2773780 0.82 AKR1C3 (0.62) RXRAALDH1A1AKR1C3AKR1C2FABP4
SCHEMBL2590647 0.81 RAB9A (0.49) RXRARXRBRXRGALDH1A1
SCHEMBL14213194 0.80 RXRA (0.49) CSNK2A2CSNK2BRXRARXRBRXRG
SCHEMBL14089990 0.79 PTGER1 (0.49) CSNK2A2CSNK2BRXRARXRBRXRG
SCHEMBL272092 0.78 TTR (0.56) ALDH1A1L3MBTL1TTR
SCHEMBL13601645 0.78 FABP4 (0.52) S1PR1RORCSCN9ASCN10AALDH1A1
SCHEMBL319915 0.78 RORC (0.52) S1PR1RORCALDH1A1AKR1C3AKR1C2
SCHEMBL536004 0.78 FFAR4 (0.59) CSNK2A2CSNK2BRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 S1PR1 1/4885CSNK2A2 2875/4885CSNK2B 3290/4885

“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.