SCHEMBL1855562

SCHEMBL1855562

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(C(=O)C(=O)O)C(CC)c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
P2RY14 Q15391 7/20 0.35
MAPK1 P28482 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
MMP7 P09237 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
EPHX2 P34913 1/20 0.32
EEF2K O00418 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL1852857 0.89 SMN1; SMN2 (0.46) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1853297 0.83 SMN1; SMN2 (0.45) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL6717087 0.78 TSHR (0.43) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1854854 0.77 SMN1; SMN2 (0.42) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL4016045 0.77 SMN1; SMN2 (0.42) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL4714867 0.76 KMT2A (0.49) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1855560 0.75 SMN1; SMN2 (0.42) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1853974 0.75 TMEM97 (0.49) SMN1; SMN2KMT2AMEN1EPHX2ALDH1A1
SCHEMBL1852712 0.74 PLK1 (0.44) KMT2AMEN1S1PR1S1PR3ALDH1A1
SCHEMBL1856431 0.73 SMN1; SMN2 (0.50) TSHRSMN1; SMN2KMT2AMEN1HTT

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 TSHR 1096/4885SMN1; SMN2 4878/4885KMT2A 740/4885

“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.