SCHEMBL1852856

SCHEMBL1852856

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(Cc2ccccc2)C(=O)C(=O)OCC)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 5/20 0.40
CA9 Q16790 2/20 0.40
RECQL P46063 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
CNR2 P34972 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
GAA P10253 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
SCHEMBL1856431 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL1855560 0.88 SMN1; SMN2 (0.42) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL4022476 0.84 SMN1; SMN2 (0.43) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL1854689 0.83 SMN1; SMN2 (0.44) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL5048888 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL1853649 0.81 ALDH1A1 (0.46) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL1853475 0.81 MEN1 (0.47) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL6719223 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL1852104 0.80 KMT2A (0.50) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL4019783 0.80 MAPK1 (0.41) SMN1; SMN2TSHRKMT2AMAPK1ALDH1A1

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 4878/4885TSHR 1096/4885HTT 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.