SCHEMBL1021243

SCHEMBL1021243

COc1ccc(S(=O)(=O)N(C)CCNc2nc(Cc3ccc(F)cc3)ns2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.38
LMNA P02545 4/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL1019955 0.95 LMNA (0.39) ALDH1A1MAPTSMN1; SMN2LMNAMMP9
SCHEMBL1020790 0.91 LMNA (0.46) ALDH1A1EGFRMAPTTP53SMN1; SMN2
SCHEMBL1021501 0.91 CA1 (0.41) ALDH1A1EGFRERBB2MAPTSMN1; SMN2
SCHEMBL1021206 0.90 ALDH1A1 (0.42) ALDH1A1TAS2R14SMN1; SMN2LMNAMMP9
SCHEMBL1020922 0.89 MGAT3 (0.41) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL1018840 0.88 ALDH1A1 (0.39) ALDH1A1TAS2R14MAPTTP53SMN1; SMN2
SCHEMBL1020130 0.86 BMP1 (0.42) ALDH1A1TAS2R14MAPTSMN1; SMN2LMNA
SCHEMBL1021438 0.85 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL1021296 0.84 MAPT (0.44) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1019414 0.84 ALDH1A1 (0.58) ALDH1A1EGFRERBB2MAPTTP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US claimed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP claimed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US claimed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP ALDH1A1 608/4885EGFR 4814/4885ERBB2 4083/4885

“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.