SCHEMBL13601649

SCHEMBL13601649

Cc1cc(C(=O)O)ccc1-c1cccc(C(F)(F)F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.49
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
RARB P10826 1/20 0.42
TTR P02766 2/20 0.42
MPL P40238 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2B Q13224 1/20 0.40
PPARG P37231 1/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPM1G O15355 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL319915 0.87 RORC (0.52) RORCAKR1C3AKR1C2TTRTRPV1
SCHEMBL13601671 0.86 RORC (0.47) RORCAKR1C3AKR1C2RARBTTR
SCHEMBL13601653 0.84 TTR (0.45) AKR1C3AKR1C2RARBTTRMRGPRX4
SCHEMBL13601648 0.82 TTR (0.44) AKR1C3AKR1C2RARBTTRMRGPRX4
SCHEMBL13652585 0.81 TTR (0.48) AKR1C3AKR1C2RARBTTRKDM4E
SCHEMBL4517114 0.81 SCN9A (0.43) RORCAKR1C3AKR1C2TTRMRGPRX4
SCHEMBL4502244 0.80 KMO (0.47) RORCAKR1C3AKR1C2RARBTTR
SCHEMBL13601658 0.80 TAS2R14 (0.42) AKR1C3AKR1C2MPLTRPV1MRGPRX4
SCHEMBL319595 0.78 GPBAR1 (0.49) RORCAKR1C3AKR1C2RARBTTR
SCHEMBL13601655 0.78 HTT (0.51) AKR1C3AKR1C2TTRMRGPRX4

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 3 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
WO-2009131090-A1 AMINO ACID COMPOUND 旭化成ファーマ株式会社 (JP) 2009-10-29 WO 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 RORC 580/4885AKR1C3 1902/4885AKR1C2 2495/4885

“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.