SCHEMBL1855560

SCHEMBL1855560

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(=O)OCC)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 2/20 0.36
P2RY14 Q15391 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKT1 P31749 2/20 0.34
IRS1 P35568 2/20 0.34
GAB1 Q13480 2/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 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
SCHEMBL1853297 0.89 SMN1; SMN2 (0.45) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1852856 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL4019783 0.82 MAPK1 (0.41) SMN1; SMN2TSHRKMT2AS1PR1S1PR3
SCHEMBL1854854 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL4016045 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1852710 0.79 FAAH (0.47) S1PR1S1PR3NPSR1
SCHEMBL1853972 0.79 MLYCD (0.52) SMN1; SMN2MEN1HTTKMT2AL3MBTL1
SCHEMBL1849810 0.79 MLYCD (0.52) SMN1; SMN2MEN1HTTKMT2AL3MBTL1
SCHEMBL1852234 0.79 HTT (0.51) SMN1; SMN2MEN1TSHRHTTKMT2A
SCHEMBL1854357 0.78 FAAH (0.46) S1PR1S1PR3NPSR1

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 4878/4885MEN1 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.