SCHEMBL12004248

SCHEMBL12004248

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.64
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CTSK P43235 9/20 0.40
▸ CTSS P25774 4/20 0.40
▸ KLK5 Q9Y337 1/20 0.37
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL16885227 0.80 CYP2D6 (0.69) CYP2D6CA1CA2CA7CTSK
SCHEMBL16885212 0.80 CYP2D6 (0.69) CYP2D6CA1CA2CA7CTSK
SCHEMBL20040036 0.79 CA1 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL15692648 0.79 CA1 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL20557220 0.79 CA1 (0.49) CYP2D6CA1CA2CA7CTSK
SCHEMBL7353657 0.79 CA1 (0.49) CYP2D6CA1CA2CA7CTSK
SCHEMBL7360111 0.79 CA1 (0.49) CYP2D6CA1CA2CA7CTSK
SCHEMBL7205694 0.79 CA1 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL10535046 0.78 CYP2D6 (0.77) CYP2D6CA1CA2CA7CTSK
SCHEMBL10535960 0.78 CYP2D6 (0.77) CYP2D6CA1CA2CA7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681187-B1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SCINOPHARM TAIWAN LTD (TW) 2018-04-11 — — EP disclosed
US-8722921-B2 Process for reduction of alpha-acyloxy sulfide derivatives SCINOPHARM SINGAPORE PTE, LTD. (SG) 2014-05-13 — — US disclosed
US-20120220784-A1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SCINOPHARM SINGAPORE PTE, LTD. (SG) 2012-08-30 — — 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-20120220784-A1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SULT1A1, SQOR, SULT2A1 CYP2D6 288/4885CA1 2242/4885CA2 2794/4885

“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.

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