SCHEMBL13601588

SCHEMBL13601588

Cc1cc(C(=O)O)c(F)cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
TRPA1 O75762 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TAS2R14 Q9NYV8 3/20 0.44
KMO O15229 2/20 0.44
MYC P01106 1/20 0.43
SCN9A Q15858 2/20 0.42
PTPN1 P18031 1/20 0.41
NOTUM Q6P988 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL13601658 0.89 TAS2R14 (0.42) AKR1C3AKR1C2TRPA1TRPM8TRPV1
SCHEMBL13601673 0.88 TAS2R14 (0.41) AKR1C3AKR1C2DHODHALDH1A1HPGD
SCHEMBL13601647 0.83 ACMSD (0.50) DHODHALDH1A1MYCNOTUM
SCHEMBL13601657 0.82 MYC (0.42) TRPA1DHODHTAS2R14MYCSCN9A
SCHEMBL344491 0.80 ALDH1A1 (0.56) AKR1C3AKR1C2ALDH1A1HPGDTAS2R14
SCHEMBL13601645 0.80 FABP4 (0.52) DHODHALDH1A1MYCSCN9A
SCHEMBL13601631 0.79 LDHA (0.49) AKR1C3AKR1C2DHODHALDH1A1HPGD
SCHEMBL5851285 0.78 ALDH1A1 (0.54) AKR1C3AKR1C2DHODHALDH1A1HPGD
SCHEMBL28570642 0.78 TAS2R14 (0.46) AKR1C3AKR1C2ALDH1A1HPGDTAS2R14
SCHEMBL30532289 0.78 TAS2R14 (0.46) AKR1C3AKR1C2ALDH1A1HPGDTAS2R14

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 AKR1C3 1902/4885AKR1C2 2495/4885TRPA1 730/4885

“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.