SCHEMBL13601645

SCHEMBL13601645

Cc1cc(C(=O)O)c(F)cc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.52
FABP5 Q01469 1/20 0.52
DHODH Q02127 1/20 0.49
SCN9A Q15858 5/20 0.45
RORC P51449 4/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
S1PR1 P21453 2/20 0.43
CTSA P10619 2/20 0.42
MYC P01106 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40

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
SCHEMBL240363 0.81 FABP4 (0.49) FABP4FABP5DHODHSCN9ARORC
SCHEMBL13601647 0.80 ACMSD (0.50) DHODHALDH1A1MYC
SCHEMBL13601588 0.80 AKR1C3 (0.50) DHODHSCN9AALDH1A1MYC
SCHEMBL13601639 0.78 S1PR1 (0.50) FABP4FABP5SCN9ARORCALDH1A1
SCHEMBL28500487 0.78 PTGER1 (0.59) FABP4FABP5DHODHSCN9ARORC
SCHEMBL13601657 0.76 MYC (0.42) DHODHSCN9AMYC
SCHEMBL13601631 0.75 LDHA (0.49) DHODHSCN9AALDH1A1MYC
SCHEMBL13601658 0.75 TAS2R14 (0.42) DHODHSCN9AMYC
SCHEMBL13601650 0.75 DHODH (0.47) DHODHALDH1A1MYC
SCHEMBL28680311 0.74 ACLY (0.42) DHODHSCN9AALDH1A1S1PR1CTSA

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 FABP4 1986/4885FABP5 1197/4885DHODH 2603/4885

“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.