SCHEMBL13601641

SCHEMBL13601641

Cc1cc(C(=O)O)cc(C)c1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMO O15229 2/20 0.44
DHODH Q02127 2/20 0.43
DCLRE1B Q9H816 1/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PIN1 Q13526 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
HAO2 Q9NYQ3 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL31658247 0.88 TTR (0.53) TTRKMODHODH
SCHEMBL13601575 0.82 TTR (0.59) TTRKMODHODHCES2CES1
SCHEMBL6564927 0.81 CA12 (0.53) TTRKMODHODH
SCHEMBL4539558 0.81 AKR1C3 (0.55) NR4A1NR4A2NR4A3L3MBTL1KMO
SCHEMBL3210250 0.79 KMO (0.60) NR4A1NR4A2NR4A3L3MBTL1KMO
SCHEMBL14783757 0.79 DHODH (0.57) NR4A1NR4A2NR4A3KMODHODH
SCHEMBL1133046 0.78 ACHE (0.52) DHODH
SCHEMBL19170354 0.78 TAAR1 (0.52)
SCHEMBL1890376 0.78 GRIK1 (0.52) NR4A1NR4A2NR4A3KMODCLRE1B
SCHEMBL2160048 0.77 KMO (0.53) NR4A1NR4A2NR4A3L3MBTL1KMO

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 TTR 2102/4885NR4A1 1945/4885NR4A2 1827/4885

“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.