SCHEMBL21715604

SCHEMBL21715604

CC(C)(C)OC(=O)N[C@@H](CCCO)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.56
CTSS P25774 4/20 0.56
ATM Q13315 1/20 0.54
SYK P43405 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
APP P05067 2/20 0.45
ACE P12821 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL7696221 0.88 CTSK (0.59) CTSKCTSSATMSYKCTSL
SCHEMBL3842588 0.88 CTSK (0.59) CTSKCTSSATMSYKCTSL
SCHEMBL14338698 0.88 CTSK (0.59) CTSKCTSSATMSYKCTSL
SCHEMBL21715587 0.86 PPARA (0.47) CTSKCTSSATMPPARAPPARG
SCHEMBL13198524 0.86 ATM (0.55) CTSKCTSSATMSYKCTSL
SCHEMBL15159962 0.85 CTSK (0.59) CTSKCTSSATMSYKCTSL
SCHEMBL825574 0.84 CTSK (0.58) CTSKCTSSATMSYKCTSL
SCHEMBL3493706 0.84 CTSK (0.58) CTSKCTSSATMSYKCTSL
SCHEMBL4727222 0.84 CTSK (0.58) CTSKCTSSATMSYKCTSL
SCHEMBL5760296 0.84 CTSK (0.58) CTSKCTSSATMSYKCTSL

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-10836761-B2 Cinchonine-derived catalysts and methods of using same BRANDEIS UNIVERSITY (US) 2020-11-17 US disclosed
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME BRANDEIS UNIVERSITY (US) 2020-02-13 US 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-10836761-B2 Cinchonine-derived catalysts and methods of using same MCM2, MCM7, MCM5 CTSK 1231/4885CTSS 775/4885ATM 2423/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 CTSK 1231/4885CTSS 775/4885ATM 2423/4885

“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.