SCHEMBL1839255

SCHEMBL1839255

CCOC(=O)[C@@H](N)CCSSCC[C@H](N)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.40
METAP2 P50579 5/20 0.40
METAP1 P53582 3/20 0.40
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NOS2 P35228 2/20 0.36
CPB2 Q96IY4 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BHMT Q93088 1/20 0.35
BHMT2 Q9H2M3 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL1839254 1.00 NOD1 (0.40) NOD1METAP2METAP1ALOX15CYP2D6
SCHEMBL113612 0.86 METAP2 (0.53) NOD1METAP2METAP1ALOX15CYP2D6
SCHEMBL113611 0.86 METAP2 (0.53) NOD1METAP2METAP1ALOX15CYP2D6
SCHEMBL5443843 0.86 METAP2 (0.53) NOD1METAP2METAP1ALOX15CYP2D6
SCHEMBL1176235 0.84 ALOX15 (0.48) NOD1METAP2METAP1ALOX15CYP2D6
Hydrochloric Acid SCHEMBL8014832 0.84 METAP2 (0.51) NOD1METAP2METAP1ALOX15CYP2D6
Hydrochloric Acid SCHEMBL2031642 0.84 METAP2 (0.51) NOD1METAP2METAP1ALOX15CYP2D6
SCHEMBL7322982 0.84 METAP2 (0.54) NOD1METAP2METAP1ALOX15CYP2D6
SCHEMBL7322988 0.84 METAP2 (0.54) NOD1METAP2METAP1ALOX15CYP2D6
Hydrochloric Acid SCHEMBL134493 0.84 METAP2 (0.51) NOD1METAP2METAP1ALOX15CYP2D6

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 10 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
CN-101370773-A Cycloalkanecarboxamide derivative and method for producing same SEIKAGAKU KOGYO CO LTD (JP) 2009-02-18 CN disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
US-5661129-A CONSISTS OF CYSTINE, HOMOCYSTINE OR PENICILLAMINE DISULFIDES SCHWARZ PHARMA AG (DE) 1997-08-26 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-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB NOD1 3330/4885METAP2 634/4885METAP1 443/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE NOD1 3278/4885METAP2 1780/4885METAP1 1067/4885

“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.