SCHEMBL725348

SCHEMBL725348

Cc1ccc[n+]([O-])c1-c1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
STAT3 P40763 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAPK14 Q16539 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
CASR P41180 1/20 0.33
SRD5A1 P18405 1/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL21961927 0.90 SLC7A5 (0.36) SLC7A5STAT3CA12CA1CA2
SCHEMBL12221596 0.86 SLC7A5 (0.41) SLC7A5STAT3CA12CA1CA2
SCHEMBL16237544 0.84 POLB (0.47)
SCHEMBL10081773 0.81 KMO (0.47) MAPK14RXRA
SCHEMBL1016231 0.77 SLC7A5 (0.39) SLC7A5STAT3CA12CA1CA2
SCHEMBL2344130 0.76 SLC7A5 (0.52) SLC7A5CA12CA1CA2CA9
SCHEMBL8111051 0.74 SLC7A5 (0.48) SLC7A5RXRA
SCHEMBL1410040 0.73 KMO (0.55) SLC7A5CA12CA1CA2CA9
SCHEMBL1854635 0.73 DHODH (0.48) SLC7A5CA12CA1CA2CA9
SCHEMBL110296 0.72 SLC7A5 (0.58) SLC7A5STAT3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4218754-B1 VANZACAFTOR FOR USE IN THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2026-03-25 EP disclosed
US-12508231-B2 Formulations of 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl) cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-30 US disclosed
EP-3880197-B9 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2025-07-02 EP disclosed
EP-4556008-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2025-05-21 EP disclosed
EP-3470063-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMA (US) 2025-01-01 EP disclosed
US-12065432-B2 Solid forms of 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl) benzoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-08-20 US disclosed
US-20230364073-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-16 US disclosed
EP-2914248-B2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMA (US) 2023-10-18 EP disclosed
EP-4218754-A2 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-08-02 EP disclosed
EP-3880197-B1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2023-02-22 EP disclosed
WO-2010037066-A2 DOSAGE UNITS OF 3-(6-(1-(2,2-DIFLUOROBENZO [D] [1,3] DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 WO 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
US-20090176839-A1 FORMULATIONS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090170905-A1 SOLID FORMS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID VERTEX PHARMACEUTICALS INCORPORATED 2009-07-02 US disclosed
WO-2009076142-A2 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXIAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-18 WO disclosed
WO-2009073757-A1 SOLID FORMS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3] DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL) BENZOIC ACID VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 WO disclosed
US-20080286204-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 US disclosed
US-20080286204-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 US disclosed
US-20080286204-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 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 (8 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-12065432-B2 Solid forms of 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl) benzoic acid H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CALU, CA5B SLC7A5 2350/4885STAT3 2689/4885CA12 164/4885
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO SLC7A5 3606/4885STAT3 3888/4885CA12 1545/4885
US-20080286204-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 SLC7A5 350/4885STAT3 2240/4885CA12 4614/4885
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO SLC7A5 3606/4885STAT3 3888/4885CA12 1545/4885
US-20230364073-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES CFTR, CLCN2, CLIC1 SLC7A5 1417/4885STAT3 2210/4885CA12 3757/4885
US-20090170905-A1 SOLID FORMS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CALU, CA5B SLC7A5 2350/4885STAT3 2689/4885CA12 164/4885
US-20090176839-A1 FORMULATIONS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID DDC, P2RX6, CTSC SLC7A5 3569/4885STAT3 3942/4885CA12 3036/4885
US-12508231-B2 Formulations of 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl) cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid CFTR, MFAP1, CMA1 SLC7A5 3202/4885STAT3 4513/4885CA12 4311/4885

“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.