SCHEMBL1854872

SCHEMBL1854872

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CNC2CCCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 4/20 0.55
TSHR P16473 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.45
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RECQL P46063 2/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
HSP90AA1 P07900 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1856185 0.81 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL4715407 0.80 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL5044430 0.79 KMT2A (0.52) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL1853154 0.77 KMT2A (0.66) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL1856043 0.75 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL1855668 0.75 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL4715831 0.73 TSHR (0.60) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL4715815 0.73 KMT2A (0.71) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL4711874 0.73 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL4021235 0.73 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2HTTTSHRMEN1

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 8 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 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
EP-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO 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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO 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 (2 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 KMT2A 2981/4885SMN1; SMN2 2147/4885HTT 4318/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 KMT2A 740/4885SMN1; SMN2 4878/4885HTT 2944/4885

“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.