SCHEMBL1850128

SCHEMBL1850128

O=C(NC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCCC1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.62
CTSS P25774 5/20 0.58
CTSL P07711 4/20 0.58
CTSB P07858 3/20 0.58
CTSK P43235 4/20 0.52
MME P08473 1/20 0.51
APC P25054 1/20 0.51
ITGB1 P05556 2/20 0.50
ITGA4 P13612 2/20 0.50
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49

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
SCHEMBL27753302 1.00 ECE1 (0.62) ECE1CTSSCTSLCTSBCTSK
SCHEMBL27732937 0.88 CTSB (0.55) ECE1CTSSCTSLCTSBCTSK
SCHEMBL1841852 0.88 CTSB (0.55) ECE1CTSSCTSLCTSBCTSK
SCHEMBL5963300 0.85 CTSB (0.57) ECE1CTSSCTSLCTSBCTSK
SCHEMBL16463321 0.84 ATM (0.54) ECE1CTSSCTSLCTSBCTSK
SCHEMBL17106905 0.84 ATM (0.54) ECE1CTSSCTSLCTSBCTSK
SCHEMBL1849406 0.83 CTSS (0.59) ECE1CTSSCTSLCTSBCTSK
SCHEMBL1852485 0.82 CTSS (0.58) ECE1CTSSCTSLCTSBCTSK
SCHEMBL27964688 0.82 CTSS (0.58) ECE1CTSSCTSLCTSBCTSK
SCHEMBL1702159 0.81 ECE1 (0.65) ECE1CTSSCTSLCTSBCTSK

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-8481725-B2 Cycloalkylcarbonylamino acid derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2013-07-09 US disclosed
EP-1972636-B1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-25 EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US disclosed
CN-101370773-A Cycloalkanecarboxamide derivative and method for producing same SEIKAGAKU KOGYO CO LTD (JP) 2009-02-18 CN disclosed
EP-1972636-A1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 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 ECE1 358/4885CTSS 2/4885CTSL 13/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV ECE1 613/4885CTSS 2/4885CTSL 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.