SCHEMBL20397698

SCHEMBL20397698

[CH2][C@@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
CACNA1B Q00975 2/20 0.49
LDHA P00338 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.45
CTSK P43235 6/20 0.45
CTSS P25774 6/20 0.44
FPR2 P25090 1/20 0.44
ACACB O00763 1/20 0.44
MMP1 P03956 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL27759656 0.86 CTSS (0.58) PPARGPPARAITGB3ITGA2BATM
SCHEMBL8732751 0.84 ACACB (0.58) PPARGPPARACACNA1BLDHAITGB3
SCHEMBL12203612 0.84 ACACB (0.58) PPARGPPARACACNA1BLDHAITGB3
SCHEMBL20397779 0.84 PPARG (0.51) PPARGPPARACACNA1BITGB3ITGA2B
SCHEMBL9588404 0.84 ATM (0.61) PPARGPPARAALDH1A1LMNAATM
SCHEMBL7349815 0.84 ATM (0.61) PPARGPPARAALDH1A1LMNAATM
SCHEMBL27484314 0.84 PPARG (0.50) PPARGPPARACACNA1BLDHAITGB3
SCHEMBL12765945 0.83 PPARG (0.49) PPARGPPARACACNA1BLDHAITGB3
SCHEMBL28549065 0.83 PPARG (0.49) PPARGPPARACACNA1BLDHAITGB3
SCHEMBL28912771 0.83 CTSL (0.53) PPARGPPARACACNA1BLDHAITGB3

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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 US disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 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 (2 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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, SAAL1, FPR2 PPARG 2035/4885PPARA 1798/4885CACNA1B 1497/4885
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 PPARG 2050/4885PPARA 1849/4885CACNA1B 1567/4885

“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.