SCHEMBL13601673

SCHEMBL13601673

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.41
SCN9A Q15858 3/20 0.40
MYC P01106 1/20 0.40
HSD11B1 P28845 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
DHODH Q02127 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SORT1 Q99523 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMO O15229 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL13601657 0.89 MYC (0.42) TAS2R14SCN9AMYCDHODHRXRA
SCHEMBL13601658 0.88 TAS2R14 (0.42) TAS2R14SCN9AMYCAKR1C3AKR1C2
SCHEMBL13601588 0.88 AKR1C3 (0.50) TAS2R14SCN9AMYCHSD11B1AKR1C3
SCHEMBL13601671 0.78 RORC (0.47) HSD11B1AKR1C3AKR1C2ALDH1A1MRGPRX4
SCHEMBL13601650 0.77 DHODH (0.47) MYCDHODHALDH1A1HPGD
SCHEMBL13601647 0.77 ACMSD (0.50) MYCDHODHALDH1A1
SCHEMBL30532289 0.75 TAS2R14 (0.46) TAS2R14SCN9AAKR1C3AKR1C2RXRA
SCHEMBL28570642 0.75 TAS2R14 (0.46) TAS2R14SCN9AAKR1C3AKR1C2RXRA
SCHEMBL1195140 0.75 TAS2R14 (0.51) TAS2R14DHODHHDAC6ALDH1A1HPGD
SCHEMBL544646 0.74 ALDH1A1 (0.50) TAS2R14MYCHSD11B1AKR1C3AKR1C2

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 1 patent. 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

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 4160/4885SCN9A 2824/4885MYC 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.