SCHEMBL1851100

SCHEMBL1851100

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(C(=O)C(=O)OCC)C2CCCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
ALDH1A1 P00352 6/20 0.37
GAA P10253 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B1 P28845 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL1855668 0.89 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL5044430 0.81 KMT2A (0.52) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL1852856 0.80 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL4021235 0.79 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL1855560 0.78 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL4021233 0.77 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL1854872 0.72 KMT2A (0.55) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL1856185 0.71 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL4715407 0.70 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL1851101 0.70 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1TSHRHTT

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 3 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-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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SMN1; SMN2 4878/4885KMT2A 740/4885MEN1 2496/4885

“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.