SCHEMBL13199876

SCHEMBL13199876

CC(C)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CTSK P43235 2/20 0.53
BTK Q06187 2/20 0.50
HSD11B1 P28845 2/20 0.45
CYP2C9 P11712 1/20 0.45
JAK3 P52333 1/20 0.44
MAP4K4 O95819 2/20 0.43
KDM4D Q6B0I6 6/20 0.43
GAA P10253 1/20 0.43
EPHX1 P07099 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL10017895 1.00 CA1 (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL12026537 1.00 CA1 (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL14024975 0.91 CTSK (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL21779949 0.91 CTSK (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL12026411 0.91 CTSK (0.59) CA1CA2CTSKBTKHSD11B1
SCHEMBL26109825 0.91 CA1 (0.55) CA1CA2CTSKBTKHSD11B1
SCHEMBL17789650 0.89 CA1 (0.52) CA1CA2CTSKBTKHSD11B1
SCHEMBL26093192 0.87 CA1 (0.57) CA1CA2CTSKBTKHSD11B1
SCHEMBL19019381 0.85 CTSK (0.57) CA1CA2CTSKBTKHSD11B1
SCHEMBL27426504 0.85 HRH3 (0.43) CA1CA2CTSKHSD11B1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578060-B2 JAK3 selective inhibitor PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2023-02-14 US disclosed
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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 (3 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 CA1 371/4885CA2 827/4885CTSK 1630/4885
US-11578060-B2 JAK3 selective inhibitor JAK3, JAK1, JAK2 CA1 4455/4885CA2 3962/4885CTSK 2021/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 CA1 70/4885CA2 76/4885CTSK 1406/4885

“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.