SCHEMBL13601644

SCHEMBL13601644

Cc1cc(C(=O)O)c(F)cc1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 1/20 0.47
GPR35 Q9HC97 2/20 0.46
DHODH Q02127 3/20 0.45
NOTUM Q6P988 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
SCN9A Q15858 1/20 0.43
ACMSD Q8TDX5 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
HMGB1 P09429 1/20 0.42

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
SCHEMBL13601631 0.87 LDHA (0.49) DHODHNOTUMSCN9AACMSDMEN1
SCHEMBL13601882 0.81 TUBB4A (0.48) DCLRE1BGPR35DHODHNR4A1NR4A2
SCHEMBL2429144 0.81 LDHA (0.49) DHODHNOTUMACMSDMEN1LMNA
SCHEMBL17797026 0.80 HDAC7 (0.51) DCLRE1BGPR35DHODHNOTUMNR4A1
SCHEMBL27456537 0.80 GPR35 (0.49) DCLRE1BGPR35DHODHNOTUMNR4A1
SCHEMBL31397801 0.79 HTT (0.59) DCLRE1BGPR35DHODHNR4A1NR4A2
SCHEMBL269851 0.79 HTT (0.59) DCLRE1BGPR35DHODHNR4A1NR4A2
SCHEMBL17797037 0.79 DCLRE1B (0.56) DCLRE1BGPR35DHODHNR4A1NR4A2
SCHEMBL4539558 0.77 AKR1C3 (0.55) DCLRE1BNR4A1NR4A2NR4A3KDM4E
SCHEMBL1890376 0.77 GRIK1 (0.52) DCLRE1BNR4A1NR4A2NR4A3KMO

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 DCLRE1B 1678/4885GPR35 134/4885DHODH 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.