SCHEMBL13601658

SCHEMBL13601658

Cc1cc(C(=O)O)c(F)cc1-c1cccc(C(F)(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.42
MPL P40238 2/20 0.41
MYC P01106 1/20 0.41
SCN9A Q15858 3/20 0.41
SORT1 Q99523 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
GRIN2B Q13224 1/20 0.39
DHODH Q02127 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL13601588 0.89 AKR1C3 (0.50) TAS2R14MYCSCN9AAKR1C3AKR1C2
SCHEMBL13601673 0.88 TAS2R14 (0.41) TAS2R14MYCSCN9ASORT1AKR1C3
SCHEMBL13601650 0.84 DHODH (0.47) MYCDHODHNOTUM
SCHEMBL13601657 0.82 MYC (0.42) TAS2R14MYCSCN9ADHODHMRGPRX4
SCHEMBL13601649 0.80 RORC (0.49) MPLAKR1C3AKR1C2GPBAR1GRIN2B
SCHEMBL13601647 0.78 ACMSD (0.50) MYCDHODHNOTUM
SCHEMBL30532289 0.76 TAS2R14 (0.46) TAS2R14SCN9ASORT1AKR1C3AKR1C2
SCHEMBL28570642 0.76 TAS2R14 (0.46) TAS2R14SCN9ASORT1AKR1C3AKR1C2
SCHEMBL13601645 0.75 FABP4 (0.52) MYCSCN9ADHODH
SCHEMBL13601631 0.73 LDHA (0.49) MYCSCN9AAKR1C3AKR1C2DHODH

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 TAS2R14 4160/4885MPL 217/4885MYC 3353/4885

“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.