SCHEMBL10066069

SCHEMBL10066069

Cc1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.82
▸ NR1I2 O75469 1/20 0.82
▸ ADORA3 P0DMS8 1/20 0.82
▸ CYP2C8 P10632 1/20 0.82
▸ CYP2C9 P11712 1/20 0.82
▸ ADRA1A P35348 1/20 0.82
▸ PDE4D Q08499 1/20 0.82

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
SCHEMBL2030919 0.92 CFTR (0.81) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL12189058 0.92 CFTR (0.83) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL16351175 0.91 CFTR (0.80) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL2036712 0.91 CFTR (0.82) CFTRNR1I2ADORA3CYP2C8CYP2C9
Lumacaftor SCHEMBL29355738 0.90 CFTR (1.00) CFTRNR1I2ADORA3CYP2C8CYP2C9
Lumacaftor SCHEMBL29355737 0.90 CFTR (1.00) CFTRNR1I2ADORA3CYP2C8CYP2C9
Lumacaftor SCHEMBL29370751 0.90 CFTR (1.00) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL10066083 0.90 CFTR (0.87) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL12189119 0.90 CFTR (0.79) CFTRNR1I2ADORA3CYP2C8CYP2C9
Lumacaftor SCHEMBL377028 0.90 CFTR (1.00) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 — — WO disclosed
WO-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 — — WO disclosed
WO-2018127846-A1 PROCESS AND CRYSTALLINE FORMS OF LUMACAFTOR LAURUS LABS LIMITED (IN) 2018-07-12 — — WO disclosed
WO-2018037350-A1 SOLID FORMS OF LUMACAFTOR, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF LAURUS LABS LIMITED (IN) 2018-03-01 — — WO disclosed
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — US disclosed
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — US disclosed
US-9776968-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-03 — — US disclosed
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-08 — — US disclosed
EP-2639223-B1 Process for producing cycloalkylcarboxiamido-pyridine benzoic acids VERTEX PHARMA (US) 2017-03-29 — — EP disclosed
WO-2017017696-A1 PROCESS FOR THE PREPARATION OF LUMACAFTOR MYLAN LABORATORIES LIMITED (IN) 2017-02-02 — — WO disclosed
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED 2014-11-06 — — US disclosed
US-8816093-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 — — US disclosed
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF NOVARTIS AG (CH) 2014-08-14 — — US disclosed
US-20130274477-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-17 — — US disclosed
US-8461342-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 — — US disclosed
US-20120203006-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 — — US disclosed
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-8124781-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-28 — — US disclosed
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-11 — — US disclosed
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — 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 (9 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 CFTR 182/4885NR1I2 2034/4885ADORA3 2478/4885
US-20130274477-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO CFTR 3920/4885NR1I2 4556/4885ADORA3 3375/4885
US-20120203006-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO CFTR 3920/4885NR1I2 4556/4885ADORA3 3375/4885
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO CFTR 3920/4885NR1I2 4556/4885ADORA3 3375/4885
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO CFTR 3920/4885NR1I2 4556/4885ADORA3 3375/4885
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF CFTR, OPRD1, OPRK1 CFTR 1/4885NR1I2 88/4885ADORA3 1786/4885
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO CFTR 3920/4885NR1I2 4556/4885ADORA3 3375/4885
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO CFTR 3920/4885NR1I2 4556/4885ADORA3 3375/4885
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO CFTR 3920/4885NR1I2 4556/4885ADORA3 3375/4885

“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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