SCHEMBL18857043

SCHEMBL18857043

CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
CTSL P07711 4/20 0.49
CTSB P07858 3/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TACR1 P25103 1/20 0.46

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
SCHEMBL18857016 0.88 CTSL (0.53) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL18840077 0.87 CTRB1 (0.56) CTRB1TRPM8CTSLCTSBCTSS
SCHEMBL18857025 0.86 CTSL (0.54) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL18857026 0.86 CTSL (0.54) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL14401024 0.82 MMP8 (0.50) CTSLCTSBCTSKALDH1A1
SCHEMBL24596987 0.82 CTSB (0.59) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL14595222 0.82 CTSB (0.59) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL24103094 0.80 MEN1 (0.47) CTRB1CTSLCTSBCTSSCTSK
SCHEMBL29028019 0.80 MEN1 (0.47) CTRB1CTSLCTSBCTSSCTSK
SCHEMBL27310595 0.80 CYP3A4 (0.69) CTSLCTSBCTSSCTSKCYP3A4

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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 US disclosed
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK CTRB1 3007/4885TRPM8 4333/4885CTSL 1674/4885

“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.