SCHEMBL2120946

SCHEMBL2120946

Cc1c(OS(=O)(=O)C(F)(F)F)ccc2c1CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
GPR119 Q8TDV5 7/20 0.39
DRD2 P14416 2/20 0.38
STS P08842 3/20 0.37
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL2117067 0.93 ESR2 (0.48) ESR2NR1H2GPR119ADORA1
SCHEMBL17463334 0.89 ESR2 (0.44) ESR2NR1H2GPR119DRD2STS
SCHEMBL506250 0.86 DRD2 (0.47) ESR2NR1H2GPR119DRD2STS
SCHEMBL17890596 0.84 ESR2 (0.47) ESR2NR1H2ADORA1
SCHEMBL29591040 0.84 ESR2 (0.47) ESR2NR1H2ADORA1
SCHEMBL2206790 0.82 ESR2 (0.48) ESR2NR1H2GPR119STSNPC1
SCHEMBL2123572 0.81 ESR2 (0.46) ESR2NR1H2GPR119STSNPC1
SCHEMBL29390745 0.81 ESR2 (0.50) ESR2NR1H2GPR119DRD2STS
SCHEMBL19643122 0.81 ESR2 (0.50) ESR2NR1H2GPR119DRD2STS
SCHEMBL2117371 0.81 ESR2 (0.54) ESR2NR1H2GPR119DRD2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
WO-2016014463-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO disclosed
US-8906904-B2 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
WO-2014039434-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443110-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010146105-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010146105-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2010-12-23 WO 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-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ADCY9, ADCY7, GUCY1B1 ESR2 3032/4885NR1H2 2115/4885GPR119 41/4885
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 ESR2 2798/4885NR1H2 1653/4885GPR119 57/4885
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING S1PR1, S1PR2, S1PR3 ESR2 443/4885NR1H2 53/4885GPR119 13/4885

“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.