SCHEMBL1839629

SCHEMBL1839629

CC(C)[C@H](NC(=O)C1(NC(=O)C#Cc2ccccc2)CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.48
CTSL P07711 7/20 0.48
CTSB P07858 7/20 0.48
CTSK P43235 7/20 0.42
ERAP2 Q6P179 2/20 0.40
IL1RN P18510 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
LNPEP Q9UIQ6 1/20 0.38
ECE1 P42892 1/20 0.38

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
SCHEMBL27964731 1.00 CTSS (0.48) CTSSCTSLCTSBCTSKERAP2
SCHEMBL27965030 0.86 ECE1 (0.40) CTSSCTSLCTSBCTSKECE1
SCHEMBL1850933 0.86 ECE1 (0.40) CTSSCTSLCTSBCTSKECE1
SCHEMBL1838673 0.80 CTSS (0.48) CTSSCTSLCTSBCTSKERAP2
SCHEMBL27965014 0.80 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL1840160 0.80 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL1839814 0.80 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL28812052 0.80 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL27965067 0.79 CTSS (0.63) CTSSCTSLCTSBCTSKECE1
SCHEMBL1855255 0.79 CTSS (0.63) CTSSCTSLCTSBCTSKECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
CN-101370773-B Cycloalkanecarboxamide derivative and method for producing same SEIKAGAKU KOGYO CO LTD 2014-04-09 CN disclosed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 US disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP 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-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB CTSS 2/4885CTSL 13/4885CTSB 3/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE CTSS 2/4885CTSL 9/4885CTSB 6/4885

“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.