SCHEMBL13633798

SCHEMBL13633798

CCO[C@H](CNC(=O)OC(C)(C)C)Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.50
CTSK P43235 5/20 0.50
SYK P43405 1/20 0.46
SERPINE1 P05121 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
OPRM1 P35372 3/20 0.41
ATM Q13315 1/20 0.40
MIF P14174 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
GAA P10253 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL7836979 0.81 CTSS (0.54) CTSSCTSKSYKSERPINE1OPRM1
SCHEMBL17592938 0.81 CTSS (0.49) CTSSCTSKSYKSERPINE1PPARG
SCHEMBL22153160 0.80 CTSS (0.53) CTSSCTSKSYKOPRM1
SCHEMBL13960420 0.80 OPRM1 (0.40) CTSSCTSKPPARAOPRM1MIF
SCHEMBL29333309 0.79 ATM (0.60) CTSSCTSKSYKPPARAOPRM1
SCHEMBL20805990 0.78 CTSS (0.51) CTSSCTSKSYKSERPINE1OPRM1
SCHEMBL23328949 0.76 CTSS (0.52) CTSSCTSKPPARGPPARAATM
SCHEMBL506202 0.74 GAA (0.57) CTSSCTSKMIFGAANQO2
SCHEMBL12667207 0.73 ADRB2 (0.42) CTSSCTSKSYKSERPINE1PPARG
SCHEMBL507975 0.73 GAA (0.56) CTSSCTSKMIFGAANQO2

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-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 CTSS 3511/4885CTSK 813/4885SYK 2715/4885

“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.