SCHEMBL3104685

SCHEMBL3104685

CC(C)(C)OC(=O)NC1CCN(C2CCCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.58
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HSD11B1 P28845 5/20 0.49
CYP2C9 P11712 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OGFRL1 Q5TC84 1/20 0.48
BTK Q06187 2/20 0.48
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
EPHX1 P07099 2/20 0.46
LCK P06239 1/20 0.44
JAK3 P52333 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2876959 1.00 CTSK (0.58) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL1699915 0.94 CTSK (0.61) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL1808105 0.94 CTSK (0.61) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL1699916 0.94 CTSK (0.61) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL803320 0.91 CTSK (0.58) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL542675 0.91 OPRM1 (0.55) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL23952394 0.90 CA1 (0.59) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL23952393 0.90 CA1 (0.59) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3440554 0.89 CTSK (0.56) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL2012184 0.89 CTSK (0.56) CTSKCA1CA2HSD11B1CYP2C9

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-1960381-B1 AMINOPHENYLSULFONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITOR JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 EP disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 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-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor DNPEP, NPEPPS, ANPEP CTSK 82/4885CA1 4453/4885CA2 3880/4885

“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.