SCHEMBL23748810

SCHEMBL23748810

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CTSK P43235 5/20 0.47
CTSB P07858 4/20 0.47
CTSL P07711 4/20 0.47
CTSS P25774 3/20 0.47
KLK5 Q9Y337 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CAPN1 P07384 1/20 0.44
MAPT P10636 1/20 0.43
ELANE P08246 1/20 0.43
PRTN3 P24158 1/20 0.43
CTSD P07339 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
SCHEMBL3736788 0.96 SYK (0.50) SYKCTSKCTSBCTSLCTSS
SCHEMBL28870540 0.96 SYK (0.50) SYKCTSKCTSBCTSLCTSS
SCHEMBL8125898 0.90 SYK (0.48) SYKCTSKCTSBCTSLCTSS
SCHEMBL3740512 0.87 KLK5 (0.52) SYKCTSKCTSBCTSLCTSS
SCHEMBL28870542 0.87 KLK5 (0.52) SYKCTSKCTSBCTSLCTSS
SCHEMBL28870539 0.86 CTSB (0.53) CTSKCTSBCTSLCTSSMEN1
SCHEMBL11657615 0.83 SYK (0.59) SYKCTSKCTSBCTSLCTSS
SCHEMBL20885259 0.83 SYK (0.59) SYKCTSKCTSBCTSLCTSS
SCHEMBL3727406 0.82 CTSB (0.54) CTSKCTSBCTSLCTSSMEN1
SCHEMBL28870538 0.82 CTSB (0.54) CTSKCTSBCTSLCTSSMEN1

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 SYK 4158/4885CTSK 676/4885CTSB 508/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB SYK 4158/4885CTSK 676/4885CTSB 508/4885

“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.