SCHEMBL7200356

SCHEMBL7200356

Cc1ccc(S(=O)(=O)N(C)CCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
KDM4E B2RXH2 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 2/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HTT P42858 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
AURKB Q96GD4 1/20 0.50
AURKAIP1 Q9NWT8 1/20 0.50
NEK1 Q96PY6 1/20 0.49
C5AR1 P21730 1/20 0.49
AGER Q15109 1/20 0.49

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
SCHEMBL10693747 0.85 MAPT (0.55) KMT2AKDM4EMAPTMCOLN3LMNA
SCHEMBL19264967 0.84 SIGMAR1 (0.57) KMT2AMEN1KDM4ERXFP1ALDH1A1
SCHEMBL11576737 0.84 CA12 (0.59) KMT2AMEN1KDM4ERXFP1ALDH1A1
SCHEMBL2414975 0.84 SIGMAR1 (0.57) KMT2AMEN1KDM4ERXFP1ALDH1A1
SCHEMBL10282765 0.83 MAPT (0.53) KMT2AMEN1KDM4EMAPTMCOLN3
SCHEMBL218536 0.83 SMN1; SMN2 (0.68) KDM4EALDH1A1MAPTMCOLN3SMN1; SMN2
SCHEMBL13445263 0.83 MAPT (0.53) KMT2AMEN1KDM4EMAPTMCOLN3
SCHEMBL18986533 0.83 LMNA (0.55) KMT2AMEN1ALDH1A1MAPTMCOLN3
SCHEMBL5722103 0.83 KMT2A (0.53) KMT2AMEN1KDM4ERXFP1ALDH1A1
SCHEMBL10282720 0.82 KMT2A (0.52) KMT2AMEN1KDM4ERXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-20170107205-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-20170107206-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-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-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-26 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 WO disclosed
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 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 (8 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 KMT2A 4241/4885MEN1 4705/4885KDM4E 4156/4885
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885KDM4E 4156/4885
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS KMT2A 2746/4885MEN1 4202/4885KDM4E 1790/4885
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885KDM4E 4156/4885
US-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 KMT2A 2250/4885MEN1 3356/4885KDM4E 2176/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885KDM4E 4156/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885KDM4E 4156/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885KDM4E 4156/4885

“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.