SCHEMBL20994292

SCHEMBL20994292

COC(=O)C(CC1=CCC(F)(F)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.41
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
CTSL P07711 2/20 0.38
CTSS P25774 7/20 0.36
CTSK P43235 6/20 0.36
CTSB P07858 1/20 0.36
TACR1 P25103 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL19806271 1.00 KLK5 (0.41) KLK5NFKB1NFKB2RELACTSL
SCHEMBL6908318 0.81 KLK5 (0.44) KLK5NFKB1NFKB2RELACTSL
SCHEMBL16119293 0.81 KLK5 (0.44) KLK5NFKB1NFKB2RELACTSL
SCHEMBL16228157 0.81 KLK5 (0.44) KLK5NFKB1NFKB2RELACTSL
SCHEMBL8909470 0.80 ALDH1A1 (0.46) KLK5NFKB1NFKB2RELACTSS
SCHEMBL12091407 0.79 KLK5 (0.43) KLK5NFKB1NFKB2RELACTSL
SCHEMBL6907174 0.77 KLK5 (0.45) KLK5NFKB1NFKB2RELACTSL
SCHEMBL16228121 0.77 KLK5 (0.45) KLK5NFKB1NFKB2RELACTSL
SCHEMBL21037178 0.76 FNTA (0.35)
SCHEMBL25076194 0.74 CTSL (0.43) KLK5NFKB1NFKB2RELACTSL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563074-B Piperazine derivatives 安斯泰来制药株式会社 2021-09-28 CN disclosed
EP-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
US-10710988-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2020-07-14 US disclosed
US-20190202815-A1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2019-07-04 US disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 EP 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-10710988-B2 Piperazine derivative GPR4, MC4R, TRPC4 KLK5 330/4885NFKB1 2563/4885NFKB2 2938/4885
US-20190202815-A1 PIPERAZINE DERIVATIVE GPR4, MC4R, TRPC4 KLK5 330/4885NFKB1 2563/4885NFKB2 2938/4885

“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.