SCHEMBL725537

SCHEMBL725537

N#CC1CC1c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMYD3 Q9H7B4 3/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CFTR P13569 5/20 0.32
NOTUM Q6P988 1/20 0.31
KIF11 P52732 1/20 0.31
MGLL Q99685 1/20 0.31
NAAA Q02083 1/20 0.31
SCD5 Q86SK9 1/20 0.30

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
SCHEMBL23995206 0.78 HDAC4 (0.42) HDAC4PIK3CAPIK3CGNPC1RAB9A
SCHEMBL25004761 0.76 HDAC4 (0.39) HDAC4PIK3CAPIK3CGNPC1RAB9A
SCHEMBL23993636 0.74 SLC6A4 (0.41) HDAC4PIK3CAPIK3CGNPC1RAB9A
SCHEMBL18828501 0.72 HDAC4 (0.48) HDAC4PIK3CAPIK3CGNPC1RAB9A
SCHEMBL726857 0.72 HDAC4 (0.46) HDAC4PIK3CAPIK3CGNPC1RAB9A
Cyanide SCHEMBL27923467 0.71 HDAC4 (0.45) HDAC4PIK3CAPIK3CGNPC1RAB9A
SCHEMBL15189597 0.70 HTR2A (0.49)
SCHEMBL29276952 0.70 HTR2A (0.49)
SCHEMBL15196465 0.70 HTR2A (0.49)
SCHEMBL15189596 0.70 HTR2A (0.49)

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
US-8816093-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 US disclosed
US-8461342-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US 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 2767/4885PIK3CA 931/4885PIK3CG 1415/4885
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885PIK3CA 931/4885PIK3CG 1415/4885
US-20160200712-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885PIK3CA 931/4885PIK3CG 1415/4885
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885PIK3CA 931/4885PIK3CG 1415/4885
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885PIK3CA 931/4885PIK3CG 1415/4885
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885PIK3CA 931/4885PIK3CG 1415/4885
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO HDAC4 2767/4885PIK3CA 931/4885PIK3CG 1415/4885

“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.