SCHEMBL13601653

SCHEMBL13601653

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
MYC P01106 3/20 0.44
PTPRC P08575 2/20 0.44
PTPN7 P35236 3/20 0.43
PPM1G O15355 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPRO Q16827 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TYMS P04818 1/20 0.43
RARB P10826 1/20 0.42
ALOX15 P16050 2/20 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
SCHEMBL13601648 0.89 TTR (0.44) TTRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL13652585 0.88 TTR (0.48) TTRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL4502244 0.86 KMO (0.47) TTRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL272092 0.84 TTR (0.56) TTRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL13601655 0.84 HTT (0.51) TTRMRGPRX4AKR1C3AKR1C2
SCHEMBL13601649 0.84 RORC (0.49) TTRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL68014 0.82 ALDH1A1 (0.57) TTRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL12388484 0.82 TTR (0.50) TTRKDM4EALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL4352471 0.80 ALDH1A1 (0.56) TTRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL3558703 0.80 MYC (0.58) TTRKDM4EALDH1A1GAAL3MBTL1

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 TTR 2102/4885KDM4E 3224/4885ALDH1A1 2990/4885

“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.