SCHEMBL15764474

SCHEMBL15764474

CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.50
CTSK P43235 8/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9679279 0.90 CTSS (0.47) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL29147405 0.86 CTSS (0.67) CTSSCTSKCA2
SCHEMBL26206757 0.83 CTSK (0.48) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL19560807 0.83 CTSK (0.48) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL15369701 0.83 CTSS (0.63) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL46641 0.81 PPARA (0.57) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL2313666 0.81 PPARA (0.57) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL1618767 0.81 PPARA (0.57) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL25293909 0.81 CTSK (0.65) CTSSCTSKCTSLCTSBCA2
SCHEMBL13955236 0.81 CTSK (0.46) CTSSCTSKCYP1A2CYP2C9CYP2C19

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-9133141-B2 Cysteine and cystine bioisosteres to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-09-15 US disclosed
US-20140155440-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2014-06-05 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 (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-20140155440-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 CTSS 210/4885CTSK 669/4885CYP1A2 752/4885

“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.