SCHEMBL13601657

SCHEMBL13601657

Cc1cc(C(=O)O)c(F)cc1-c1cccc(F)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
SCN9A Q15858 5/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
ALB P02768 1/20 0.38
TRPA1 O75762 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NOTUM Q6P988 3/20 0.37
DHODH Q02127 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL13601673 0.89 TAS2R14 (0.41) MYCSCN9ARXRARXRBMRGPRX4
SCHEMBL13601650 0.82 DHODH (0.47) MYCALBACMSDNOTUMDHODH
SCHEMBL13601658 0.82 TAS2R14 (0.42) MYCSCN9ATRPA1MRGPRX4NOTUM
SCHEMBL13601647 0.82 ACMSD (0.50) MYCALBACMSDNOTUMDHODH
SCHEMBL13601588 0.82 AKR1C3 (0.50) MYCSCN9ATRPA1NOTUMDHODH
SCHEMBL4517114 0.81 SCN9A (0.43) SCN9ARXRARXRBMRGPRX4
SCHEMBL31388520 0.77 ALB (0.57) ALBTAS2R14
SCHEMBL1259459 0.77 ALB (0.57) ALBTAS2R14
SCHEMBL13601645 0.76 FABP4 (0.52) MYCSCN9ADHODH
SCHEMBL940482 0.75 HSD17B10 (0.48) MYCALBTAS2R14

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 MYC 3353/4885SCN9A 2824/4885RXRA 1837/4885

“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.