SCHEMBL2012105

SCHEMBL2012105

COc1ccc(S(=O)(=O)N(C)CCN(C)c2nc(Cc3ccc(F)cc3)ns2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NOS2 P35228 1/20 0.37
PTGS2 P35354 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
BMP1 P13497 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 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
SCHEMBL1020162 0.95 NOS2 (0.40) TAS2R14ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2007365 0.91 LMNA (0.45) ALDH1A1EGFRSMN1; SMN2MAPTLMNA
SCHEMBL2003100 0.90 CNR2 (0.41) ALDH1A1EGFRERBB2SMN1; SMN2MAPT
SCHEMBL1022400 0.90 ALDH1A1 (0.40) TAS2R14ALDH1A1LMNAKDM4EKEAP1
SCHEMBL13098974 0.90 TAS2R14 (0.40) TAS2R14ALDH1A1EGFRERBB2SMN1; SMN2
SCHEMBL2002634 0.89 MGAT3 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EBMP1
SCHEMBL1019577 0.88 ALDH1A1 (0.38) TAS2R14ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL1020706 0.85 ALDH1A1 (0.55) ALDH1A1EGFRERBB2SMN1; SMN2MAPT
SCHEMBL1020526 0.85 BMP1 (0.41) TAS2R14ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL1022239 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E

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 4 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
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
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 TAS2R14 1979/4885ALDH1A1 608/4885EGFR 4814/4885

“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.