SCHEMBL3982874

SCHEMBL3982874

CC(C)(C)c1cc(Br)ccc1OC(=O)Oc1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.62
USP2 O75604 1/20 0.46
ALPL P05186 1/20 0.46
ALOX15 P16050 1/20 0.46
RBP4 P02753 1/20 0.39
NCEH1 Q6PIU2 3/20 0.38
MAPK1 P28482 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
APEX1 P27695 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL399302 0.92 PTGDR2 (0.57) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL3982876 0.88 PTGDR2 (0.65) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL16217687 0.88 PTGDR2 (0.57) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL21629618 0.81 PTGDR2 (0.47) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL27752722 0.80 APEX1 (0.51) PTGDR2ALOX15MAPK1RAB9AALDH1A1
SCHEMBL29210715 0.80 PTGDR2 (0.56) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL25307457 0.77 ALDH1A1 (0.55) ALOX15ALDH1A1NPC1RARARARB
SCHEMBL1542948 0.77 PTGDR2 (0.56) PTGDR2USP2ALPLALOX15MAPK1
SCHEMBL29426974 0.77 PTGDR2 (0.56) PTGDR2USP2ALPLALOX15MAPK1
SCHEMBL12478128 0.77 PTGDR2 (1.00) PTGDR2USP2ALPLALOX15RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
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-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
EP-2502912-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2489659-A1 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-08-22 EP disclosed
WO-2011072241-A9 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 WO 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
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP 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
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGDR2 2134/4885USP2 2773/4885ALPL 4794/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGDR2 2134/4885USP2 2773/4885ALPL 4794/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PTGDR2 2134/4885USP2 2773/4885ALPL 4794/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 PTGDR2 1340/4885USP2 4521/4885ALPL 4692/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGDR2 2134/4885USP2 2773/4885ALPL 4794/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 PTGDR2 1831/4885USP2 2831/4885ALPL 4811/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 PTGDR2 1658/4885USP2 2829/4885ALPL 4623/4885

“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.