SCHEMBL726848

SCHEMBL726848

O=C(O)C1CC1c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
FFAR1 O14842 5/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
SMYD3 Q9H7B4 2/20 0.40
CFTR P13569 7/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL726857 0.88 HDAC4 (0.46) HDAC4CTNNB1WNT3ASMYD3CFTR
SCHEMBL15804941 0.80 ALDH1A1 (0.44) HDAC4CTNNB1WNT3ACFTRMAPT
SCHEMBL15798965 0.80 ALDH1A1 (0.44) HDAC4CTNNB1WNT3ACFTRMAPT
SCHEMBL23995206 0.80 HDAC4 (0.42) HDAC4CTNNB1WNT3ASMYD3CFTR
SCHEMBL9607120 0.78 HDAC4 (0.48) HDAC4CTNNB1WNT3ACFTRALDH1A1
SCHEMBL15091391 0.77 MAPT (0.60) FFAR1MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL24564668 0.77 MAPT (0.60) FFAR1MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15319043 0.75 KMO (0.52) HDAC4CTNNB1WNT3ASMYD3CFTR
SCHEMBL23993636 0.73 SLC6A4 (0.41) HDAC4CTNNB1WNT3ASMYD3RECQL
SCHEMBL15442862 0.72 HDAC4 (0.48) HDAC4CTNNB1WNT3ASMYD3CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2639222-B1 Process for producing cycloalkylcarboxiamido-pyridine benzoic acids VERTEX PHARMA (US) 2016-08-31 EP disclosed
EP-2639224-B1 Process for producing cycloalkylcarboxiamido-pyridine benzoic acids VERTEX PHARMA (US) 2016-08-24 EP disclosed
US-20160200712-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-14 US disclosed
US-9321725-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-26 US disclosed
US-9012652-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-21 US disclosed
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED 2014-11-06 US disclosed
EP-2776427-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2014-09-17 EP disclosed
WO-2013070961-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-16 WO disclosed
EP-2231606-B1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXIAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMA (US) 2013-02-13 EP 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
WO-2010138484-A2 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
EP-2231606-A2 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXIAMIDO-PYRIDINE BENZOIC ACIDS Vertex Pharmaceuticals Incorporated (US) 2010-09-29 EP 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
WO-2009076142-A2 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXIAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-18 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-20120203006-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885FFAR1 792/4885CTNNB1 3773/4885
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885FFAR1 792/4885CTNNB1 3773/4885
US-20160200712-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885FFAR1 792/4885CTNNB1 3773/4885
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885FFAR1 792/4885CTNNB1 3773/4885
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885FFAR1 792/4885CTNNB1 3773/4885
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885FFAR1 792/4885CTNNB1 3773/4885
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885FFAR1 792/4885CTNNB1 3773/4885

“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.