SCHEMBL3948413

SCHEMBL3948413

COc1cc(CO)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
PTGS1 P23219 1/20 0.43
IDO1 P14902 2/20 0.40
DAO P14920 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SRC P12931 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 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
SCHEMBL17703908 0.83 RXRA (0.47) RXRARXRBRXRGPTGS1IDO1
SCHEMBL20285804 0.83 CA1 (0.42) DAOMEN1KMT2ACYP4F2CYP4A11
SCHEMBL12440168 0.83 RXRA (0.47) RXRARXRBRXRGPTGS1IDO1
SCHEMBL14269963 0.83 RXRA (0.47) RXRARXRBRXRGPTGS1IDO1
SCHEMBL16955836 0.82 RXRA (0.51) RXRARXRBRXRGIDO1PRKCA
SCHEMBL17414539 0.82 RXRA (0.41) RXRARXRBRXRGDAOPRKCA
SCHEMBL17414537 0.82 RXRA (0.44) RXRARXRBRXRGDAOPRKCA
SCHEMBL17994027 0.81 RXRA (0.46) RXRARXRBRXRGPTGS1IDO1
SCHEMBL3943050 0.81 RXRA (0.46) RXRARXRBRXRGPTGS1IDO1
SCHEMBL29617634 0.81 RXRA (0.46) RXRARXRBRXRGPTGS1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892891-B1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2019-07-31 EP disclosed
US-RE46886-E1 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-05 US disclosed
US-RE46886-E1 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-05 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8906904-B2 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
US-8906904-B2 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 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
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
EP-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 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 (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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 RXRA 1604/4885RXRB 1340/4885RXRG 1631/4885
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 RXRA 2777/4885RXRB 2625/4885RXRG 2868/4885

“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.