SCHEMBL13601671

SCHEMBL13601671

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.47
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
HSD11B1 P28845 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
RARB P10826 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
TTR P02766 2/20 0.40
PPM1G O15355 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPRO Q16827 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PDK2 Q15119 1/20 0.39
PTPRC P08575 2/20 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) RORCAKR1C3AKR1C2TRPV1MRGPRX4
SCHEMBL4517114 0.86 SCN9A (0.43) RORCAKR1C3AKR1C2MRGPRX4KDM4E
SCHEMBL13601649 0.86 RORC (0.49) RORCAKR1C3AKR1C2TRPV1MRGPRX4
SCHEMBL13601704 0.85 KDM4E (0.39) RORCAKR1C3AKR1C2RARBKDM4E
SCHEMBL4517107 0.85 RORC (0.42) RORCKDM4EALDH1A1GAAL3MBTL1
SCHEMBL13601705 0.85 AKR1C3 (0.40) RORCAKR1C3AKR1C2RARBKDM4E
SCHEMBL13601673 0.78 TAS2R14 (0.41) AKR1C3AKR1C2HSD11B1MRGPRX4ALDH1A1
SCHEMBL2528069 0.78 AKR1C3 (0.55) AKR1C3AKR1C2MRGPRX4PDK2EPHX2
SCHEMBL319595 0.78 GPBAR1 (0.49) RORCAKR1C3AKR1C2RARBTTR
SCHEMBL2524411 0.78 RXRA (0.50) RORCAKR1C3AKR1C2ALDH1A1TTR

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 1 patent. 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

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.