SCHEMBL1854689

SCHEMBL1854689

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(Cc2ccc(Oc3ccccc3)cc2)C(=O)C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
MMP2 P08253 4/20 0.41
STAT3 P40763 1/20 0.40
NR3C1 P04150 2/20 0.39
EPHX2 P34913 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1856431 0.92 SMN1; SMN2 (0.50) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1853649 0.91 ALDH1A1 (0.46) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1853475 0.87 MEN1 (0.47) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1855640 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1853297 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1852856 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL4025022 0.83 TSHR (0.49) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1852104 0.83 KMT2A (0.50) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1854931 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1853214 0.81 TSHR (0.43) SMN1; SMN2MEN1TSHRHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP claimed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US claimed
EP-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (3 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-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections STS, TST, SULT1A1 SMN1; SMN2 2147/4885MEN1 2947/4885TSHR 1632/4885
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 SMN1; SMN2 2542/4885MEN1 3574/4885TSHR 4253/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SMN1; SMN2 4878/4885MEN1 2496/4885TSHR 1096/4885

“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.