SCHEMBL1020922

SCHEMBL1020922

COc1ccc(S(=O)(=O)N(C)CCNc2nc(Cc3cccc(F)c3)ns2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT3 Q09327 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.37
CYP19A1 P11511 1/20 0.37
POLB P06746 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CASP3 P42574 1/20 0.36
MAPT P10636 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
BMP1 P13497 2/20 0.35

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
SCHEMBL1020130 0.92 BMP1 (0.42) MGAT3ALDH1A1MEN1KMT2AGAA
SCHEMBL1021296 0.90 MAPT (0.44) ALDH1A1KMT2AGAASMN1; SMN2L3MBTL1
SCHEMBL1021243 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1021206 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL1019955 0.88 LMNA (0.39) ALDH1A1SMN1; SMN2POLBMAPTBMP1
SCHEMBL1018840 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1021737 0.85 ALDH1A1 (0.47) MGAT3ALDH1A1SMN1; SMN2CYP19A1POLB
SCHEMBL1020790 0.84 LMNA (0.46) ALDH1A1KMT2AGAASMN1; SMN2MAPT
SCHEMBL1019901 0.84 RAF1 (0.47) MGAT3ALDH1A1SMN1; SMN2CYP19A1POLB
SCHEMBL2002634 0.84 MGAT3 (0.42) MGAT3ALDH1A1MEN1KMT2ATNF

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 MGAT3 1459/4885ALDH1A1 608/4885MEN1 4386/4885

“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.