SCHEMBL13601700

SCHEMBL13601700

Cc1cc(C(=O)O)c(F)cc1-c1cc(F)cc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
EIF4E P06730 1/20 0.38
SCN9A Q15858 3/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TTR P02766 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DHFR P00374 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
HMGB1 P09429 1/20 0.35
CXCL12 P48061 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13601650 0.79 DHODH (0.47) CES2CES1EIF4EKDM4EHPGD
SCHEMBL13601669 0.76 MAPK14 (0.47) EIF4EMAPK14KDM4EHSD17B10MEN1
SCHEMBL13601647 0.75 ACMSD (0.50) KDM4EUSP2ALDH1A1ALBACMSD
SCHEMBL12593947 0.74 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL13601631 0.73 LDHA (0.49) SCN9AHPGDMEN1ALDH1A1LMNA
SCHEMBL11948576 0.73 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL1418105 0.73 KDM4E (0.44) KDM4EHPGDHSD17B10TTRALDH1A1
SCHEMBL13601644 0.72 DCLRE1B (0.47) SCN9AKDM4EHPGDHSD17B10TTR
SCHEMBL13601658 0.71 TAS2R14 (0.42) SCN9ANOTUMMYC
SCHEMBL13601629 0.71 DHODH (0.49) KDM4EMEN1ALDH1A1KMT2AASPH

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 CES2 4522/4885CES1 1831/4885EIF4E 2800/4885

“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.