SCHEMBL3685468

SCHEMBL3685468

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 5/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
REN P00797 1/20 0.42
CTSL P07711 2/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ATM Q13315 1/20 0.40
IDO1 P14902 1/20 0.40
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3220161 1.00 CTSK (0.48) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL1789747 1.00 CTSK (0.48) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL11522699 0.89 CTSK (0.46) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL11691694 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL14217667 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL5027594 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL7158579 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL9779450 0.86 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL3224065 0.85 CTSK (0.43) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL9779446 0.83 CTSS (0.51) CTSKCTSSCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 EP disclosed
CN-101541783-B pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-10-01 CN disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
CN-101541783-A Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS (US) 2009-09-23 CN disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CTSK 4783/4885CTSS 4504/4885CYP3A4 1191/4885

“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.