SCHEMBL14038142

SCHEMBL14038142

O=C(Nc1ccc(Cl)c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.56
NR1I2 O75469 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2C9 P11712 1/20 0.56
ADRA1A P35348 1/20 0.56
PDE4D Q08499 1/20 0.56

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
SCHEMBL16168279 0.88 CFTR (0.66) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL2032725 0.85 CFTR (0.56) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL16168305 0.84 CFTR (0.41) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL19594720 0.84 CFTR (0.41) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL12189329 0.84 CFTR (0.67) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL1723714 0.83 CFTR (0.66) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL1723037 0.83 CFTR (0.60) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL12189047 0.82 CFTR (0.66) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL1723186 0.82 CFTR (0.54) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL4167618 0.82 CFTR (0.54) CFTRNR1I2ADORA3CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 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-20150166516-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CFTR 1/4885NR1I2 889/4885ADORA3 281/4885
US-20150031708-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CFTR 1/4885NR1I2 889/4885ADORA3 281/4885

“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.