SCHEMBL23748923

SCHEMBL23748923

CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCCCCCC(=O)OCCl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.47
CTSL P07711 4/20 0.47
CTSK P43235 3/20 0.47
CTSS P25774 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
CAPN1 P07384 1/20 0.45
CASP1 P29466 1/20 0.44
CCR1 P32246 2/20 0.44
ELANE P08246 2/20 0.43
PRTN3 P24158 1/20 0.43
CTSD P07339 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 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
SCHEMBL23748924 1.00 CTSB (0.47) CTSBCTSLCTSKCTSSMEN1
SCHEMBL24131773 0.99 CTSB (0.48) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3736830 0.96 CTSB (0.49) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3725680 0.91 CTSB (0.51) CTSBCTSLCTSKCTSSMEN1
SCHEMBL8130093 0.91 CYP3A4 (0.46) CTSBCTSLCTSKCTSSMEN1
SCHEMBL8125898 0.89 SYK (0.48) CTSBCTSLCTSKCTSSMEN1
SCHEMBL23567826 0.89 CTSB (0.53) CTSBCTSLCTSKCTSSMEN1
SCHEMBL28870539 0.89 CTSB (0.53) CTSBCTSLCTSKCTSSMEN1
SCHEMBL24131772 0.88 CTSB (0.48) CTSBCTSLCTSKCTSSMEN1
SCHEMBL23748856 0.88 CTSB (0.53) CTSBCTSLCTSKCTSSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB CTSB 508/4885CTSL 264/4885CTSK 676/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB CTSB 508/4885CTSL 264/4885CTSK 676/4885

“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.