SCHEMBL1350659

SCHEMBL1350659

CCOC(=O)c1c[nH]c2cccc(C(F)(F)F)c2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.67
▸ CLEC4M Q9H2X3 1/20 0.52
▸ GABRA1 P14867 3/20 0.50
▸ GABRB2 P47870 3/20 0.50
▸ GABRB1 P18505 2/20 0.49
▸ GABRA3 P34903 2/20 0.49
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43

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
SCHEMBL16229083 0.87 KDM4E (0.51) KDM4ECLEC4MGABRA1GABRB2GABRB1
SCHEMBL2285923 0.84 CLEC4M (0.55) KDM4ECLEC4MGABRA1GABRB2GABRB1
SCHEMBL2970181 0.83 CLEC4M (0.58) KDM4ECLEC4MGABRA1GABRB2GABRB1
SCHEMBL396948 0.82 CLEC4M (0.56) KDM4ECLEC4MGABRA1GABRB2GABRB1
SCHEMBL12606661 0.82 PBRM1 (0.46) KDM4EMEN1KMT2AALDH1A1TP53
SCHEMBL28752415 0.81 NR4A2 (0.59) KDM4ECLEC4MGABRA1GABRB2GABRB1
SCHEMBL4742144 0.81 KDM4E (1.00) KDM4ECLEC4MGABRA1GABRB2GABRB1
SCHEMBL1353154 0.80 CYP1A2 (0.51) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL396665 0.80 CLEC4M (0.57) KDM4ECLEC4MGABRA1GABRB2GABRB1
SCHEMBL29464955 0.79 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — US disclosed
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — US disclosed
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — US disclosed
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — US disclosed
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — US disclosed
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — US disclosed
US-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMA (US) 2015-06-18 — — US disclosed
US-20150164881-A1 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMA (US) 2015-06-18 — — US disclosed
US-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMA (US) 2015-06-18 — — US disclosed
US-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMA (US) 2015-06-18 — — US disclosed
US-20100130547-A1 SOLID FORMS OF N-(4-(7-AZABICYCLO[2.2.1]HEPTAN-7-YL)-2-(TRIFLUORORMETHYL)PHENYL)-4-OXO-5-(TRIFLUOROMETHYL)-1,4-DIHYROQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 — — US disclosed
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-06 — — US disclosed
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-06 — — US disclosed
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-06 — — US disclosed
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 — — US disclosed
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 — — US disclosed
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 — — US disclosed
WO-2010048564-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 — — WO disclosed
WO-2010048573-A1 SOLID FORMS OF N-(4-(7-AZABICYCLO[2.2.1]HEPTAN-7-YL)-2-(TRIFLUOROMETHYL)PHENYL)-4-OXO-5-(TRIFLUOROMETHYL)-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 — — WO disclosed
WO-2010048526-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-04-29 — — 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 (7 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-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, SLC26A4 KDM4E 4080/4885CLEC4M 2205/4885GABRA1 2272/4885
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B KDM4E 4213/4885CLEC4M 1219/4885GABRA1 760/4885
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, SLC26A4 KDM4E 4080/4885CLEC4M 2205/4885GABRA1 2272/4885
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, ABCC5 KDM4E 4614/4885CLEC4M 2715/4885GABRA1 1861/4885
US-20150164881-A1 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, ABCC5 KDM4E 4614/4885CLEC4M 2715/4885GABRA1 1861/4885
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4213/4885CLEC4M 1219/4885GABRA1 760/4885
US-20100130547-A1 SOLID FORMS OF N-(4-(7-AZABICYCLO[2.2.1]HEPTAN-7-YL)-2-(TRIFLUORORMETHYL)PHENYL)-4-OXO-5-(TRIFLUOROMETHYL)-1,4-DIHYROQUINOLINE-3-CARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, AZI2 KDM4E 288/4885CLEC4M 2993/4885GABRA1 1376/4885

“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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