SCHEMBL1014873

SCHEMBL1014873

COc1ccccc1Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 12/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 2/20 0.47
HDAC1 Q13547 1/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
APOBEC3A P31941 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL1083091 0.89 CFTR (0.51) CFTRNPC1POLBALDH1A1HPGD
SCHEMBL4109194 0.89 CFTR (0.53) CFTRNPC1POLBALDH1A1HPGD
SCHEMBL1014505 0.87 CFTR (0.50) CFTRNPC1RAB9AHDAC1
SCHEMBL1012865 0.86 CFTR (0.52) CFTRNPC1POLBALDH1A1RAB9A
SCHEMBL1015166 0.86 CFTR (0.51) CFTRNPC1POLBALDH1A1HPGD
SCHEMBL4110014 0.85 CFTR (0.52) CFTRNPC1POLBALDH1A1HPGD
SCHEMBL1083066 0.84 CFTR (0.52) CFTRNPC1ALDH1A1HPGDMAPK1
SCHEMBL1014783 0.84 CFTR (0.53) CFTRNPC1POLBALDH1A1RAB9A
SCHEMBL12026603 0.83 CFTR (0.61) CFTR
SCHEMBL12026812 0.83 CFTR (0.53) CFTRNPC1POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271622-B1 Heteroaryl derivatives as CFTR Modulators VERTEX PHARMA (US) 2017-10-04 EP disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
CN-102245573-A Heteroaryl derivatives as cftr modulators VERTEX PHARMA 2011-11-16 CN disclosed
EP-2271622-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2011-01-12 EP disclosed
WO-2009108657-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 WO disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 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 (3 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-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 CFTR 1/4885NPC1 21/4885POLB 2234/4885
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators CFTR, ABCB1, ABCD3 CFTR 1/4885NPC1 21/4885POLB 2070/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 CFTR 1/4885NPC1 21/4885POLB 2070/4885

“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.