SCHEMBL3285206

SCHEMBL3285206

CS(=O)(=O)c1ccc(OC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.65
EPHX2 P34913 1/20 0.55
HRH3 Q9Y5N1 3/20 0.54
HRH1 P35367 3/20 0.54
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPY2R P49146 1/20 0.49
CCR3 P51677 2/20 0.46
PRKAA2 P54646 1/20 0.46
SRD5A1 P18405 1/20 0.45

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
SCHEMBL14634420 0.95 GPR119 (0.73) GPR119EPHX2HRH3HRH1MAPT
SCHEMBL2556261 0.95 GPR119 (0.73) GPR119EPHX2HRH3HRH1MAPT
SCHEMBL14413534 0.87 GPR119 (0.63) GPR119EPHX2HRH3HRH1MAPT
SCHEMBL3348738 0.84 GPR119 (0.52) GPR119EPHX2HRH1CCR3
SCHEMBL13324476 0.83 GPR119 (0.91) GPR119
SCHEMBL2450210 0.82 GPR119 (0.78) GPR119EPHX2HRH3HRH1
SCHEMBL7517512 0.82 EPHX2 (0.53) GPR119EPHX2HRH3HRH1CCR3
SCHEMBL2636897 0.82 EPHX2 (0.60) EPHX2HRH1CCR3SRD5A1
SCHEMBL22174158 0.82 GPR119 (0.57) GPR119EPHX2HRH3HRH1MAPT
SCHEMBL13873182 0.82 GPR119 (0.64) GPR119EPHX2HRH3HRH1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 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 (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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 GPR119 1034/4885EPHX2 221/4885HRH3 17/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 GPR119 447/4885EPHX2 1256/4885HRH3 7/4885
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 GPR119 3443/4885EPHX2 2/4885HRH3 291/4885

“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.