SCHEMBL13489702

SCHEMBL13489702

C=C(N[C@@H](CS)C(=O)NCC(=O)OC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
MME P08473 4/20 0.39
MAPK1 P28482 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN9A Q15858 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL15764484 0.87 CTSL (0.49) CTSLCTSSCTSKCTSBFNTA
SCHEMBL4405159 0.75 CTSL (0.48) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL13490155 0.72 MME (0.56) CTSLCTSSCTSKCTSBMME
SCHEMBL4402028 0.72 CTSL (0.44) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL17446831 0.71 MDM4 (0.46) KMT2A
SCHEMBL5704627 0.71 TET2 (0.37) ALDH1A1ACESMN1; SMN2HSD17B10MEN1
SCHEMBL10521000 0.71 TET2 (0.37) ALDH1A1ACESMN1; SMN2HSD17B10MEN1
SCHEMBL24111638 0.70 CTSS (0.53) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL13200758 0.70 CTSS (0.48) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL4402043 0.70 CYP1A2 (0.51) CTSLCTSSCTSKCTSBMME

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2010-02-25 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-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 CTSL 1511/4885CTSS 210/4885CTSK 669/4885

“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.