SCHEMBL1839626

SCHEMBL1839626

O=C(NC1(C(=O)O)CCCCC1)c1ccc(O)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.47
LPAR1 Q92633 2/20 0.41
CTSK P43235 1/20 0.40
CTSL P07711 5/20 0.40
CTSB P07858 3/20 0.40
CTSS P25774 3/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ADRB2 P07550 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36

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
SCHEMBL1838147 0.85 MAPT (0.41) GPR132LPAR1CTSKCTSLCTSB
SCHEMBL1838049 0.80 GPR132 (0.46) GPR132LPAR1CTSKCTSLCTSB
SCHEMBL1841619 0.77 GPR132 (0.64) GPR132CTSKHDAC1HDAC6ALDH1A1
SCHEMBL1836676 0.77 CTSK (0.61) GPR132CTSKCTSLCTSBCTSS
SCHEMBL8504286 0.77 HDAC6 (0.49) GPR132LPAR1CTSKCTSLCTSB
SCHEMBL1838927 0.76 GPR132 (0.50) GPR132CTSKCTSLCTSBCTSS
SCHEMBL1837320 0.76 CNR2 (0.49) LPAR1CTSKCTSLCTSBCTSS
SCHEMBL1813782 0.75 CTSL (0.64) CTSKCTSLCTSBCTSSHDAC1
SCHEMBL5105059 0.74 FABP4 (0.51) CTSKCTSLCTSBCTSSTSHR
SCHEMBL1841973 0.72 CNR2 (0.52) LPAR1CTSKALDH1A1

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 33 patents — showing the first 20. 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-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
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
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
CN-101370773-B Cycloalkanecarboxamide derivative and method for producing same SEIKAGAKU KOGYO CO LTD 2014-04-09 CN 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 (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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV GPR132 1412/4885LPAR1 3040/4885CTSK 1/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV GPR132 1193/4885LPAR1 1779/4885CTSK 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.