SCHEMBL21029360

SCHEMBL21029360

COC(=O)[C@H](Cc1c(C)cc(F)cc1C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.47
CTSS P25774 7/20 0.46
CTSK P43235 5/20 0.44
ACE P12821 1/20 0.40
TACR1 P25103 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL23375845 0.88 KLK5 (0.47) KLK5CTSSCTSKACETACR1
SCHEMBL28569264 0.88 KLK5 (0.47) KLK5CTSSCTSKACETACR1
SCHEMBL10759759 0.87 KLK5 (0.47) KLK5CTSSCTSKACETACR1
SCHEMBL1061605 0.86 KLK5 (0.48) KLK5CTSSCTSKACETACR1
SCHEMBL1061604 0.86 KLK5 (0.48) KLK5CTSSCTSKACETACR1
SCHEMBL13252065 0.86 KLK5 (0.46) KLK5CTSSCTSKACETACR1
SCHEMBL1056763 0.85 KLK5 (0.45) KLK5CTSSCTSKACETACR1
SCHEMBL1056766 0.85 KLK5 (0.45) KLK5CTSSCTSKACETACR1
SCHEMBL12961548 0.84 KLK5 (0.51) KLK5CTSSCTSKACETACR1
SCHEMBL4300762 0.84 KLK5 (0.54) KLK5CTSSCTSKACECTSL

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-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 KLK5 337/4885CTSS 2115/4885CTSK 3491/4885

“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.