SCHEMBL1854263

SCHEMBL1854263

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(Cc2ccc(C(F)(F)F)nc2)C(=O)C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
MAPK1 P28482 1/20 0.35
MOGAT2 Q3SYC2 1/20 0.35
AKT1 P31749 1/20 0.35
IRS1 P35568 1/20 0.35
GAB1 Q13480 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
TBXAS1 P24557 1/20 0.34

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 0.87 SMN1; SMN2 (0.45) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1855640 0.85 SMN1; SMN2 (0.47) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1856431 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL4016045 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1854854 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1853475 0.82 MEN1 (0.47) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1853649 0.81 ALDH1A1 (0.46) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1854689 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1852104 0.78 KMT2A (0.50) SMN1; SMN2HTTTSHRMEN1KMT2A
SCHEMBL1855106 0.78 MLYCD (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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 16 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 claimed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
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 claimed
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 claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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 (3 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 SMN1; SMN2 2147/4885HTT 4318/4885TSHR 1632/4885
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 SMN1; SMN2 2542/4885HTT 4100/4885TSHR 4253/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SMN1; SMN2 4878/4885HTT 2944/4885TSHR 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.