SCHEMBL4484544

SCHEMBL4484544

CC(C)N1c2ccccc2NS1(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
RECQL P46063 1/20 0.63
OPRL1 P41146 9/20 0.44
OPRM1 P35372 2/20 0.44
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRPF1 P55201 1/20 0.33
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
Bentazon SCHEMBL29379785 0.77 KDM4E (1.00) KDM4ERECQLOPRL1OPRM1PKM
Bentazon SCHEMBL9298926 0.77 KDM4E (1.00) KDM4ERECQLOPRL1OPRM1PKM
Bentazon SCHEMBL53939 0.77 KDM4E (1.00) KDM4ERECQLOPRL1OPRM1PKM
Bentazon SCHEMBL8878772 0.76 KDM4E (0.97) KDM4ERECQLOPRL1OPRM1PKM
SCHEMBL4476624 0.76 KDM4E (0.45) KDM4ERECQLOPRL1OPRM1GAA
Bentazon SCHEMBL7937888 0.76 KDM4E (0.97) KDM4ERECQLOPRL1OPRM1PKM
Bentazon SCHEMBL8877198 0.76 KDM4E (0.97) KDM4ERECQLOPRL1OPRM1PKM
Bentazon SCHEMBL1150626 0.76 KDM4E (0.97) KDM4ERECQLOPRL1OPRM1PKM
Bentazon SCHEMBL27359851 0.76 KDM4E (0.97) KDM4ERECQLOPRL1OPRM1PKM
SCHEMBL4563016 0.76 KDM4E (0.42) KDM4ERECQLOPRL1OPRM1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-02-20 US disclosed
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-7601744-B2 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
EP-1934193-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE Wyeth a Corporation of the State of Delaware (US) 2008-06-25 EP disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
WO-2007041258-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE WYETH (US) 2007-04-12 WO disclosed
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2007-03-29 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 (11 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3313/4885RECQL 1569/4885OPRL1 368/4885
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3313/4885RECQL 1569/4885OPRL1 368/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 KDM4E 3313/4885RECQL 1569/4885OPRL1 368/4885
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3313/4885RECQL 1569/4885OPRL1 368/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3304/4885RECQL 1576/4885OPRL1 378/4885
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use GLS, SLC6A4, SLC6A3 KDM4E 1520/4885RECQL 733/4885OPRL1 73/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3313/4885RECQL 1569/4885OPRL1 368/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KDM4E 3387/4885RECQL 1148/4885OPRL1 9/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 KDM4E 3313/4885RECQL 1569/4885OPRL1 368/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3313/4885RECQL 1569/4885OPRL1 368/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3330/4885RECQL 1627/4885OPRL1 372/4885

“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.