SCHEMBL12102403

SCHEMBL12102403

CC(CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
AAK1 Q2M2I8 2/20 0.44
RIPK1 Q13546 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ATM Q13315 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKT1 P31749 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL680914 0.84 CTSK (0.46) CTSKCTSSAAK1MAPTCA12
SCHEMBL21615432 0.81 CTSK (0.49) CTSKCTSSMAPTCA12CA1
SCHEMBL21615304 0.81 CTSK (0.49) CTSKCTSSMAPTCA12CA1
SCHEMBL24977985 0.80 SMN1; SMN2 (0.44) RIPK1MAPT
SCHEMBL30626451 0.79 CTSK (0.44) CTSKCTSSAAK1MAPTCA12
SCHEMBL10318067 0.79 CTSK (0.52) CTSKCTSSRIPK1ATM
SCHEMBL10318066 0.79 CTSK (0.52) CTSKCTSSRIPK1ATM
SCHEMBL19847664 0.79 CTSK (0.52) CTSKCTSSRIPK1ATM
SCHEMBL17123620 0.77 RIPK1 (0.46) CTSKCTSSRIPK1MAPTATM
SCHEMBL20935939 0.77 CYP2C19 (0.60) RIPK1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-11-03 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 (2 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-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK CTSK 2974/4885CTSS 3429/4885AAK1 507/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 CTSK 2107/4885CTSS 2660/4885AAK1 801/4885

“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.