SCHEMBL270252

SCHEMBL270252

CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.68
▸ MBTD1 Q05BQ5 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ LMNA P02545 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ PDK1 Q15118 1/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ PDK3 Q15120 1/20 0.50
▸ PDK4 Q16654 1/20 0.50

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
SCHEMBL15249009 0.99 SIGMAR1 (0.68) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL12169392 0.88 ALDH1A1 (0.65) SIGMAR1GAAKMT2AALDH1A1MAPK1
SCHEMBL13297961 0.84 L3MBTL1 (0.83) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL12110916 0.81 SIGMAR1 (0.69) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL5438202 0.81 SIGMAR1 (0.73) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL3135951 0.81 SIGMAR1 (1.00) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL3330416 0.81 SIGMAR1 (0.73) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL270734 0.81 SIGMAR1 (1.00) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL6568486 0.80 SIGMAR1 (0.72) SIGMAR1MBTD1L3MBTL1LMNASMN1; SMN2
SCHEMBL12422700 0.80 KMT2A (0.71) SIGMAR1MBTD1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 — — US disclosed
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-24 — — US disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 — — US disclosed
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-05 — — US disclosed
US-8741933-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-8722704-B2 Modulators of ATP-binding cassette-transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 — — US disclosed
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-07 — — US disclosed
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-19 — — US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 — — US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 — — US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 — — US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 — — US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 — — US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 — — 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 (14 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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SIGMAR1 2062/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SIGMAR1 2062/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SIGMAR1 1890/4885MBTD1 1225/4885L3MBTL1 3323/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK SIGMAR1 780/4885MBTD1 1543/4885L3MBTL1 3158/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885MBTD1 998/4885L3MBTL1 2347/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SIGMAR1 2062/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 SIGMAR1 2083/4885MBTD1 2071/4885L3MBTL1 3819/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885MBTD1 998/4885L3MBTL1 2347/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885MBTD1 998/4885L3MBTL1 2347/4885
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SIGMAR1 2062/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SIGMAR1 2062/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SIGMAR1 2798/4885MBTD1 2235/4885L3MBTL1 4609/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SIGMAR1 1890/4885MBTD1 1225/4885L3MBTL1 3323/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SIGMAR1 2062/4885MBTD1 1928/4885L3MBTL1 3641/4885

“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.

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