SCHEMBL396896

SCHEMBL396896

COC(=O)c1cccc(-c2ccccc2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
RAB9A P51151 2/20 0.51
PDK2 Q15119 1/20 0.51
NPC1 O15118 1/20 0.51
AXL P30530 1/20 0.51
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
ASH1L Q9NR48 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
ERN1 O75460 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL1756033 0.88 CA12 (0.51) CA12CA1CA2CA9RAB9A
SCHEMBL13600575 0.86 GABRG2 (0.53) CA12CA1CA2CA9RAB9A
SCHEMBL28755028 0.85 TSHR (0.60) CA12CA1CA2CA9RAB9A
Methane SCHEMBL28667111 0.84 TSHR (0.58) CA12CA1CA2CA9RAB9A
SCHEMBL5651802 0.84 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL8362720 0.84 SLC7A5 (0.47) CA12CA1CA2CA9RAB9A
SCHEMBL16749656 0.83 CA12 (0.58) CA12CA1CA2CA9RAB9A
SCHEMBL7830361 0.83 NR1H4 (0.57) CA12CA1CA2CA9RAB9A
SCHEMBL6082886 0.83 EGFR (0.57) CA12CA1CA2CA9RAB9A
SCHEMBL3790225 0.82 HDAC2 (0.54) ALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
CN-1256334-C Alkoxycarbonylaminobenzoic acid or alkoxycarbonylaminotetrazolylphenyl derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
CN-1527824-A Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derilatives as IP antagonists - 2004-09-08 CN 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 (11 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA12 4689/4885CA1 4872/4885CA2 2330/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CA12 4689/4885CA1 4872/4885CA2 2330/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA12 4689/4885CA1 4872/4885CA2 2330/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 CA12 3088/4885CA1 4561/4885CA2 468/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CA12 4689/4885CA1 4872/4885CA2 2330/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA12 4689/4885CA1 4872/4885CA2 2330/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA12 4689/4885CA1 4872/4885CA2 2330/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CA12 3088/4885CA1 4561/4885CA2 468/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA12 4689/4885CA1 4872/4885CA2 2330/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CA12 4221/4885CA1 4859/4885CA2 1585/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 CA12 3956/4885CA1 4861/4885CA2 1504/4885

“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.