SCHEMBL30588570

SCHEMBL30588570

COC(=O)[C@@H](COC1CCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.56
KYNU Q16719 1/20 0.54
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 1/20 0.52
CTSS P25774 5/20 0.50
CTSL P07711 4/20 0.50
CYP3A4 P08684 4/20 0.49
TSHR P16473 3/20 0.49
CTSB P07858 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL30588785 0.98 KYNU (0.54) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL24324145 0.95 KYNU (0.56) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL24324144 0.95 KYNU (0.56) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL25178683 0.90 CTSK (0.53) CTSKCTSSCTSL
SCHEMBL26128709 0.90 CTSK (0.53) CTSKCTSSCTSL
SCHEMBL31456281 0.90 CTSK (0.53) CTSKCTSSCTSL
SCHEMBL5420793 0.90 CTSK (0.54) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL26125188 0.88 CTSK (0.50) CTSKCTSSCTSLCTSB
SCHEMBL26125185 0.88 CTSK (0.50) CTSKCTSSCTSLCTSB
SCHEMBL20158206 0.87 KYNU (0.53) CTSKKYNUALDH1A1ALOX15CTSS

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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CTSK 2169/4885KYNU 4861/4885ALDH1A1 3983/4885

“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.