SCHEMBL12169367

SCHEMBL12169367

CC(C)(C)c1ccc(S(=O)(=O)NC2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ RECQL P46063 1/20 0.73
▸ ALDH1A1 P00352 8/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ KMT2A Q03164 2/20 0.62
▸ MAPK1 P28482 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ LMNA P02545 4/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ GAA P10253 1/20 0.56
▸ STK25 O00506 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ PDE4C Q08493 1/20 0.54
▸ PDE4D Q08499 1/20 0.54

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
SCHEMBL12169393 0.98 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12169400 0.97 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL9906394 0.93 KMT2A (0.66) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12061797 0.86 KMT2A (0.58) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12061693 0.86 KMT2A (0.62) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL23052431 0.84 SMN1; SMN2 (0.65) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12061651 0.84 KMT2A (0.56) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12062195 0.84 KMT2A (0.56) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12061653 0.84 KMT2A (0.56) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL23045659 0.83 SMN1; SMN2 (0.63) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 — — WO disclosed
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-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — US disclosed
US-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 — — US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 — — US disclosed
US-20150190390-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 — — US disclosed
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-05 — — 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-8461156-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 — — US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 — — US disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 — — US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 — — US disclosed
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 — — US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 — — 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-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-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 — — 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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SMN1; SMN2 4779/4885KDM4E 4156/4885RECQL 386/4885
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SMN1; SMN2 4779/4885KDM4E 4156/4885RECQL 386/4885
US-20150190390-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SMN1; SMN2 4812/4885KDM4E 4171/4885RECQL 440/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SMN1; SMN2 4779/4885KDM4E 4156/4885RECQL 386/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 SMN1; SMN2 3332/4885KDM4E 4481/4885RECQL 583/4885
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 SMN1; SMN2 4808/4885KDM4E 4192/4885RECQL 442/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SMN1; SMN2 4829/4885KDM4E 4026/4885RECQL 606/4885
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SMN1; SMN2 4779/4885KDM4E 4156/4885RECQL 386/4885
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SMN1; SMN2 4779/4885KDM4E 4156/4885RECQL 386/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SMN1; SMN2 4779/4885KDM4E 4156/4885RECQL 386/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SMN1; SMN2 3332/4885KDM4E 4481/4885RECQL 583/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SMN1; SMN2 4829/4885KDM4E 4026/4885RECQL 606/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SMN1; SMN2 4779/4885KDM4E 4156/4885RECQL 386/4885

“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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