SCHEMBL21714671

SCHEMBL21714671

CC(C)(C)OC(=O)N[C@@H](CCCO)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.47
CTSS P25774 4/20 0.44
CTSL P07711 1/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
PPARA Q07869 1/20 0.37
PTPRB P23467 2/20 0.37
ATM Q13315 1/20 0.37
REN P00797 1/20 0.36

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
SCHEMBL6753883 0.92 CTSK (0.46) CTSKCTSSCTSLMAPTPPARA
SCHEMBL10376679 0.87 CTSK (0.47) CTSKCTSSCTSLPPARAPTPRB
SCHEMBL10376680 0.87 CTSK (0.47) CTSKCTSSCTSLPPARAPTPRB
SCHEMBL6649258 0.82 CTSK (0.48) CTSKCTSSCTSLPPARAATM
SCHEMBL5168568 0.81 CTSK (0.43) CTSKCTSSCTSLMAPTPTPRB
SCHEMBL18511282 0.81 REN (0.46) CTSKCTSSCTSLMAPTPTPRB
SCHEMBL11412683 0.81 CTSK (0.45) CTSKCTSSCTSLMAPTPPARA
SCHEMBL11166172 0.81 CTSK (0.47) CTSKCTSSCTSLMAPTPTPRB
SCHEMBL6647750 0.81 CTSK (0.47) CTSKCTSSCTSLMAPTPTPRB
SCHEMBL14559227 0.79 CTSK (0.40) CTSKCTSSCTSLMAPTPPARA

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 775/4885CTSL 2479/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 CTSK 1231/4885CTSS 775/4885CTSL 2479/4885

“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.