SCHEMBL19656625

SCHEMBL19656625

CC(C)(C)OC(=O)N[C@@H](CSSC[C@H](NC(=O)OC(C)(C)C)C(N)=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
CTSK P43235 9/20 0.46
CTSS P25774 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
PPARD Q03181 2/20 0.41
REN P00797 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
SCHEMBL19651564 0.92 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL7881943 0.84 CTSK (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13489723 0.84 PPARA (0.57) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL5351802 0.84 PPARA (0.57) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18167329 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL432222 0.84 PPARA (0.57) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL28777391 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL316084 0.84 PPARA (0.57) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2541324 0.84 PPARA (0.57) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL15608320 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTCTSK

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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 CYP1A2 3334/4885CYP2C9 3654/4885CYP2C19 3277/4885

“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.