SCHEMBL9885366

SCHEMBL9885366

Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.78
MBTD1 Q05BQ5 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
KMT2A Q03164 2/20 0.76
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C19 P33261 1/20 0.70
ALDH1A1 P00352 5/20 0.65
TSHR P16473 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HSD17B10 Q99714 1/20 0.65
HTR1A P08908 1/20 0.65
NPSR1 Q6W5P4 2/20 0.64
MAPK1 P28482 2/20 0.64
TP53 P04637 1/20 0.64
GLA P06280 1/20 0.64
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL31356929 0.92 ALDH1A1 (0.74) POLBMBTD1L3MBTL1KMT2ACYP3A4
SCHEMBL12302133 0.92 ALDH1A1 (0.74) POLBMBTD1L3MBTL1KMT2ACYP3A4
SCHEMBL23682795 0.87 L3MBTL1 (1.00) POLBMBTD1L3MBTL1KMT2AALDH1A1
SCHEMBL12509429 0.87 KMT2A (0.73) POLBMBTD1L3MBTL1KMT2ACYP3A4
SCHEMBL9885409 0.86 KMT2A (0.76) POLBMBTD1L3MBTL1KMT2ACYP3A4
SCHEMBL6035036 0.86 KMT2A (0.76) POLBKMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL6107281 0.86 KMT2A (0.76) POLBKMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL3326014 0.86 KMT2A (0.76) POLBMBTD1L3MBTL1KMT2ACYP3A4
SCHEMBL14039394 0.86 L3MBTL1 (0.97) POLBMBTD1L3MBTL1KMT2AALDH1A1
SCHEMBL13045322 0.86 KMT2A (0.76) POLBKMT2ACYP3A4CYP2D6CYP2C19

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 29 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-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 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-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 US disclosed
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-26 US disclosed
US-9234256-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2016-01-12 US disclosed
US-9216969-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-12-22 US disclosed
US-20150190390-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-9012473-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-21 US disclosed
US-20130237569-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-12 US disclosed
US-8507524-B2 Modulators of ATP-binding cassette-transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-13 US disclosed
US-8461156-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 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-8193184-B2 Substituted sulphonamides, process for their preparation, pharmaceutical composition comprising thereof and their use Unimed Pharma, SPOL, S.R.O. (SK) 2012-06-05 US disclosed
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-22 US disclosed
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 US disclosed
US-20100125076-A1 SUBSTITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE UNIMED PHARMA, SPOL. S R.O. (SK) 2010-05-20 US disclosed
US-20090023604-A1 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2009-01-22 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 (10 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-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20150190390-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2508/4885MBTD1 1966/4885L3MBTL1 3829/4885
US-20100125076-A1 SUBSTITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE ARSA, SMS, SULT1E1 POLB 1502/4885MBTD1 3184/4885L3MBTL1 4705/4885
US-20130237569-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2798/4885MBTD1 1225/4885L3MBTL1 3323/4885
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2798/4885MBTD1 1225/4885L3MBTL1 3323/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 POLB 2480/4885MBTD1 1928/4885L3MBTL1 3641/4885
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885MBTD1 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.