SCHEMBL13601704

SCHEMBL13601704

Cc1cc(C(=O)O)ccc1-c1cccc(Br)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RORC P51449 1/20 0.39
TTR P02766 2/20 0.39
PTPN7 P35236 2/20 0.39
PPM1G O15355 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPRO Q16827 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PDK2 Q15119 2/20 0.38
PTPRC P08575 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
SRD5A2 P31213 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RARB P10826 1/20 0.37

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
SCHEMBL13601671 0.85 RORC (0.47) KDM4EALDH1A1GAAL3MBTL1RORC
SCHEMBL4517114 0.85 SCN9A (0.43) KDM4EALDH1A1GAAL3MBTL1RORC
SCHEMBL4517107 0.84 RORC (0.42) KDM4EALDH1A1GAAL3MBTL1RORC
SCHEMBL13601705 0.84 AKR1C3 (0.40) KDM4EALDH1A1GAAL3MBTL1RORC
SCHEMBL319915 0.77 RORC (0.52) ALDH1A1RORCTTRPTPN7PPM1G
SCHEMBL13601649 0.77 RORC (0.49) KDM4EALDH1A1GAAL3MBTL1RORC
SCHEMBL68014 0.75 ALDH1A1 (0.57) KDM4EALDH1A1GAAL3MBTL1TTR
SCHEMBL272092 0.74 TTR (0.56) KDM4EALDH1A1GAAL3MBTL1TTR
SCHEMBL13601653 0.74 TTR (0.45) KDM4EALDH1A1GAAL3MBTL1TTR
Hydrochloric Acid SCHEMBL4352471 0.74 ALDH1A1 (0.56) KDM4EALDH1A1GAAL3MBTL1TTR

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 KDM4E 3224/4885ALDH1A1 2990/4885GAA 4354/4885

“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.