SCHEMBL2386658

SCHEMBL2386658

COC(C(=O)O)c1ccc(N2CCCS2(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.44
PDE4A P27815 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
POLB P06746 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
OPRK1 P41145 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 3/20 0.41
AKR1C3 P42330 1/20 0.40
LMNA P02545 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
SCHEMBL2387205 0.88 CCNA2 (0.44) PHGDHPDE4ACCNA2CDK2CCNA1
SCHEMBL2386676 0.86 CDK2 (0.34) PHGDHPDE4ACCNA2CDK2CCNA1
SCHEMBL2386408 0.84 CCNA2 (0.40) PHGDHPDE4ACCNA2CDK2CCNA1
SCHEMBL7969768 0.76 CA1 (0.50) PHGDHPDE4ACCNA2CDK2CCNA1
SCHEMBL2387209 0.75 ALDH1A1 (0.37) PHGDHCCNA2CDK2CCNA1LMNA
SCHEMBL5434812 0.74 ALDH1A1 (0.60) POLBCA1CA2CA6OPRK1
SCHEMBL1937229 0.73 POLB (0.61) POLBCA1CA2CA6OPRK1
SCHEMBL12445262 0.73 LMNA (0.60) PDE4APOLBCA1CA2CA6
SCHEMBL18905615 0.73 PDE4A (0.43) PHGDHPDE4ACCNA2CDK2CCNA1
SCHEMBL7972833 0.72 CA1 (0.56) CCNA2CDK2CCNA1POLBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9102643-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2015-08-11 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 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 (4 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A PHGDH 646/4885PDE4A 10/4885CCNA2 3770/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A PHGDH 646/4885PDE4A 10/4885CCNA2 3770/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A PHGDH 646/4885PDE4A 10/4885CCNA2 3770/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A PHGDH 646/4885PDE4A 10/4885CCNA2 3770/4885

“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.