SCHEMBL23748856

SCHEMBL23748856

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.53
CTSK P43235 3/20 0.53
HTT P42858 1/20 0.52
CTSL P07711 4/20 0.52
CTSS P25774 3/20 0.52
CASP3 P42574 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ELANE P08246 2/20 0.47
PRTN3 P24158 1/20 0.47
ATM Q13315 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47

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
SCHEMBL23748855 1.00 CTSB (0.53) CTSBCTSKHTTCTSLCTSS
SCHEMBL23535950 0.95 CTSB (0.54) CTSBCTSKHTTCTSLCTSS
SCHEMBL3727406 0.95 CTSB (0.54) CTSBCTSKHTTCTSLCTSS
SCHEMBL3725788 0.90 CTSB (0.56) CTSBCTSKHTTCTSLCTSS
SCHEMBL28870538 0.88 CTSB (0.54) CTSBCTSKCTSLCTSSCASP3
SCHEMBL28870537 0.88 CTSB (0.54) CTSBCTSKCTSLCTSSCASP3
SCHEMBL23748923 0.88 CTSB (0.47) CTSBCTSKCTSLCTSSMEN1
SCHEMBL23748924 0.88 CTSB (0.47) CTSBCTSKCTSLCTSSMEN1
SCHEMBL23748811 0.87 SYK (0.48) CTSBCTSKCTSLCTSSCASP3
SCHEMBL23748810 0.87 SYK (0.48) CTSBCTSKCTSLCTSSCASP3

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 508/4885CTSK 676/4885HTT 3835/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB CTSB 508/4885CTSK 676/4885HTT 3835/4885

“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.