SCHEMBL9001533

SCHEMBL9001533

CCc1cc2[nH]ccc2cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.43
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ EPHX2 P34913 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ AHR P35869 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ AR P10275 2/20 0.36
▸ C5AR1 P21730 1/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ MAOA P21397 3/20 0.35

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
SCHEMBL9004444 0.85 CFTR (0.40) GPR84AHRMAOA
SCHEMBL28777719 0.80 GPR84 (0.54) GPR84CTNNB1WNT3AKIF11AHR
SCHEMBL10289632 0.80 GPR84 (0.48) GPR84AHRMAOA
SCHEMBL8957473 0.78 GPR84 (0.40) GPR84AHRMAOA
SCHEMBL14389920 0.78 GPR84 (0.41) GPR84CTNNB1WNT3AEPHX2PPARG
SCHEMBL12288155 0.77 GPR84 (0.47) GPR84CTNNB1WNT3AKIF11TRPA1
SCHEMBL10289958 0.77 GPR84 (0.62) GPR84CTNNB1WNT3AAHRMAOA
SCHEMBL8957501 0.76 GPR84 (0.46) GPR84CTNNB1WNT3AKIF11AHR
SCHEMBL5236426 0.75 GPR84 (0.64) GPR84CTNNB1WNT3AKIF11TRPA1
SCHEMBL2272066 0.74 CSNK2A1 (0.55) GPR84CTNNB1WNT3AKIF11TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 — — US disclosed
US-9051324-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 — — US disclosed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 — — US disclosed
US-20140235668-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 — — US disclosed
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — US disclosed
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 — — US disclosed
US-8633189-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-20130196983-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-01 — — US disclosed
US-8399479-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 — — US disclosed
US-8367660-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
US-20130011923-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 — — US disclosed
US-8324242-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-12-04 — — US disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 — — US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 — — US disclosed
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 — — US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 — — US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 — — US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — 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 (11 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-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CTNNB1 1282/4885WNT3A 2603/4885
US-20140235668-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI CFTR, ABCB1, ABCC1 GPR84 587/4885CTNNB1 1482/4885WNT3A 2232/4885
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CTNNB1 1282/4885WNT3A 2603/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CTNNB1 1282/4885WNT3A 2603/4885
US-20130196983-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 GPR84 229/4885CTNNB1 1529/4885WNT3A 2246/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GPR84 469/4885CTNNB1 930/4885WNT3A 2105/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CTNNB1 1282/4885WNT3A 2603/4885
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 GPR84 229/4885CTNNB1 1529/4885WNT3A 2246/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CTNNB1 1282/4885WNT3A 2603/4885
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 GPR84 351/4885CTNNB1 1635/4885WNT3A 2468/4885
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC4 GPR84 339/4885CTNNB1 1348/4885WNT3A 1771/4885

“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.

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