SCHEMBL399593

SCHEMBL399593

FC(F)(F)c1cc(C(F)(F)F)n(-c2cc[c]cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.48
ORAI1 Q96D31 3/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 4/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPC1 P48995 1/20 0.43
STIM1 Q13586 1/20 0.43
PTGS2 P35354 5/20 0.43
TP53 P04637 2/20 0.43
TRPC5 Q9UL62 1/20 0.43
THRB P10828 1/20 0.40

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
SCHEMBL7570850 0.82 PTGS1 (0.65) TRPC3ORAI1KDM4EL3MBTL1PTGS1
SCHEMBL3284909 0.81 KDM4E (0.46) TRPC3ORAI1KDM4EL3MBTL1PTGS1
SCHEMBL15420349 0.79 ORAI1 (0.53) TRPC3ORAI1KDM4EL3MBTL1PTGS1
SCHEMBL19692382 0.79 PTGS2 (0.53) TRPC3ORAI1KDM4EL3MBTL1PTGS1
SCHEMBL14198876 0.79 TRPC3 (0.69) TRPC3ORAI1PTGS1MAPTPTGS2
SCHEMBL3277337 0.79 PTGS2 (0.55) TRPC3ORAI1KDM4EL3MBTL1PTGS1
SCHEMBL4752045 0.79 PDPK1 (0.54) TRPC3ORAI1KDM4EL3MBTL1PTGS1
SCHEMBL3281711 0.76 PTGS1 (0.80) PTGS1MAPTPTGS2
SCHEMBL3942657 0.76 ALDH1A1 (0.43) TRPC3ALDH1A1
SCHEMBL5212522 0.76 ORAI1 (0.60) TRPC3ORAI1KDM4EL3MBTL1PTGS1

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 94 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 claimed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US claimed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US claimed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US claimed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US claimed
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US claimed
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-02-07 US claimed
EP-2530075-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-12-05 EP claimed
EP-2502914-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP claimed
US-7105682-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-12 US claimed
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 claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US claimed
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
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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 (13 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 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TRPC3 3373/4885ORAI1 4613/4885KDM4E 922/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO TRPC3 3142/4885ORAI1 4791/4885KDM4E 1133/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 TRPC3 4275/4885ORAI1 4744/4885KDM4E 850/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TRPC3 1477/4885ORAI1 1902/4885KDM4E 4262/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 TRPC3 4275/4885ORAI1 4744/4885KDM4E 850/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 TRPC3 909/4885ORAI1 2426/4885KDM4E 4649/4885

“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.