SCHEMBL13610018

SCHEMBL13610018

COC(=O)CC(C)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
CTSL P07711 6/20 0.42
CTSB P07858 6/20 0.42
CTSH P09668 4/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 2/20 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
SCHEMBL27505423 0.84 REN (0.39) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL13889050 0.83 CYP2D6 (0.44) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL27506204 0.82 REN (0.37) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL14111950 0.82 CTSK (0.41) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL27505427 0.80 EPHX2 (0.46) CTSKCTSLCTSBCTSHEPHX2
SCHEMBL13971410 0.79 LTA4H (0.41) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL1716320 0.79 LTA4H (0.44) CTSKCTSLCTSBLTA4H
SCHEMBL28808042 0.79 LTA4H (0.41) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL27523284 0.79 REN (0.34) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL27507024 0.78 TSHR (0.44) CTSKCTSLCTSBCTSHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US disclosed
US-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
US-7169598-B2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2007-01-30 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-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 CTSK 3847/4885CTSL 4723/4885CTSB 4610/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 CTSK 3882/4885CTSL 4712/4885CTSB 4612/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 CTSK 2661/4885CTSL 4348/4885CTSB 4068/4885

“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.