SCHEMBL2196345

SCHEMBL2196345

CS(=O)(=O)OCCC1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TLR7 Q9NYK1 2/20 0.31

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
SCHEMBL1691179 1.00 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL774435 1.00 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2198163 0.90 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2075658 0.89 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15313206 0.85 USP2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15299228 0.81 BRD4 (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL710775 0.81 BRD4 (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5315549 0.81 BRD4 (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2199583 0.80 KDM4E (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2197047 0.79 KDM4E (0.46) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735430-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735430-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-8299103-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299103-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 WO disclosed
US-7037916-B2 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 US disclosed
WO-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 WO disclosed
WO-2004063192-A1 IMIDAZOLYL PYRIMIDINE DERIVATIVES USEFUL AS IL-8 RECEPTOR MODULATORS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-07-29 WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 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 (6 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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R KDM4E 3304/4885USP2 4003/4885ALDH1A1 2313/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R KDM4E 3304/4885USP2 4003/4885ALDH1A1 2313/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 KDM4E 4586/4885USP2 4168/4885ALDH1A1 1673/4885
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 KDM4E 4646/4885USP2 3999/4885ALDH1A1 1217/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R KDM4E 3304/4885USP2 4003/4885ALDH1A1 2313/4885
US-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KDM4E 3300/4885USP2 4243/4885ALDH1A1 2112/4885

“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.