SCHEMBL1838673

SCHEMBL1838673

CC(C)[C@H](NC(=O)C1(NC(=O)SCc2ccccc2)CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.48
CTSB P07858 6/20 0.48
CTSL P07711 5/20 0.48
CTSK P43235 6/20 0.45
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
CASP1 P29466 2/20 0.39
CASP3 P42574 2/20 0.39
CASP7 P55210 2/20 0.39
CASP8 Q14790 2/20 0.39
CCR1 P32246 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP6 P55212 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
SCHEMBL1855156 0.89 ALDH1A1 (0.42) CTSSCTSBCTSLCTSKCASP1
SCHEMBL27965014 0.81 CTSS (0.62) CTSSCTSBCTSLCTSKCCR1
SCHEMBL1840160 0.81 CTSS (0.62) CTSSCTSBCTSLCTSKCCR1
SCHEMBL28812052 0.81 CTSS (0.47) CTSSCTSBCTSLCTSKMEN1
SCHEMBL1839814 0.81 CTSS (0.47) CTSSCTSBCTSLCTSKMEN1
SCHEMBL1839629 0.80 CTSS (0.48) CTSSCTSBCTSLCTSKIL1RN
SCHEMBL27964731 0.80 CTSS (0.48) CTSSCTSBCTSLCTSKIL1RN
SCHEMBL1855255 0.80 CTSS (0.63) CTSSCTSBCTSLCTSKCCR1
SCHEMBL27965067 0.80 CTSS (0.63) CTSSCTSBCTSLCTSKCCR1
SCHEMBL1837328 0.73 CTSS (0.62) CTSSCTSBCTSLCTSK

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 7 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
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 2/4885CTSB 3/4885CTSL 13/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE CTSS 2/4885CTSB 6/4885CTSL 9/4885

“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.