SCHEMBL1840796

SCHEMBL1840796

O=C(NC1(C(=O)O)CCCCC1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
HTT P42858 1/20 0.40
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1840770 1.00 CTSB (0.47) CTSBCTSSCTSKHTTRAB9A
SCHEMBL5677871 0.86 EPHX2 (0.47) CTSBCTSSCTSKALDH1A1
SCHEMBL1486257 0.86 CYP2C9 (0.45) CTSBCTSSCTSKHTTKMT2A
SCHEMBL5675372 0.86 EPHX2 (0.47) CTSBCTSSCTSKHTTKMT2A
SCHEMBL5675876 0.86 CTSB (0.43) CTSBCTSSCTSKKMT2AMEN1
SCHEMBL5674323 0.86 EPHX2 (0.47) CTSBCTSSCTSKKMT2AMEN1
SCHEMBL5674238 0.83 CYP1A2 (0.48) CTSBCTSSCTSKKMT2AMEN1
SCHEMBL1841878 0.82 ALDH1A1 (0.54) CTSBCTSSCTSKHTTRAB9A
SCHEMBL7533918 0.82 CTSB (0.40) CTSBCTSSCTSKRAB9ANPC1
SCHEMBL5674494 0.82 CTSK (0.40) CTSBCTSSCTSKSMN1; SMN2ALDH1A1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009425-B1 ALPHA-OXOACYLAMINOCAPROLACTAM SEIKAGAKU KOGYO CO LTD (JP) 2018-06-06 EP disclosed
EP-3009425-B1 ALPHA-OXOACYLAMINOCAPROLACTAM SEIKAGAKU KOGYO CO LTD (JP) 2018-06-06 EP disclosed
US-9562042-B2 α-oxoacyl amino-caprolactam SEIKAGAKU CORPORATION (JP) 2017-02-07 US disclosed
US-9562042-B2 α-oxoacyl amino-caprolactam SEIKAGAKU CORPORATION (JP) 2017-02-07 US disclosed
US-9562042-B2 α-oxoacyl amino-caprolactam SEIKAGAKU CORPORATION (JP) 2017-02-07 US disclosed
US-20160130266-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY SEIKAGAKU CORPORATION (JP) 2016-05-12 US disclosed
US-20160130266-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY SEIKAGAKU CORPORATION (JP) 2016-05-12 US disclosed
US-20160130266-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY SEIKAGAKU CORPORATION (JP) 2016-05-12 US disclosed
EP-3009425-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY Seikagaku Corporation (JP) 2016-04-20 EP disclosed
EP-3009425-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY Seikagaku Corporation (JP) 2016-04-20 EP disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 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-1975162-A1 OXAZOLONE DERIVATIVE SEIKAGAKU CORPORATION (JP) 2008-10-01 EP 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 (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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV CTSB 5/4885CTSS 4/4885CTSK 1/4885
US-20160130266-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY ANPEP, COL2A1, PTMS CTSB 468/4885CTSS 661/4885CTSK 256/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV CTSB 6/4885CTSS 2/4885CTSK 1/4885

“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.