SCHEMBL2494959

SCHEMBL2494959

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
CTSS P25774 2/20 0.54
CA2 P00918 3/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CYP2D6 P10635 1/20 0.49
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PREP P48147 1/20 0.44
TRPA1 O75762 2/20 0.43
PSENEN Q9NZ42 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL20504152 1.00 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL14515881 0.86 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL14491979 0.86 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL3048922 0.85 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL4751952 0.85 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL17268444 0.85 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL28681860 0.85 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL17268414 0.85 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL14389814 0.83 CTSK (0.56) CTSKCTSSCA2CA1CA7
SCHEMBL15228568 0.83 CA2 (0.49) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
EP-3377482-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-09-26 EP disclosed
CN-108463458-A MODULATORS OF ROR-GAMMA 生命医药公司 2018-08-28 CN disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA CTSK 4100/4885CTSS 4690/4885CA2 2803/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA CTSK 4100/4885CTSS 4690/4885CA2 2803/4885
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 CTSK 353/4885CTSS 737/4885CA2 3845/4885

“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.