SCHEMBL1022239

SCHEMBL1022239

COc1ccc(S(=O)(=O)N(C)CCN(C)c2nc(Cc3ccccc3F)ns2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 2/20 0.39
KEAP1 Q14145 4/20 0.39
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
NFE2L2 Q16236 1/20 0.35
MAOA P21397 1/20 0.35
CASP3 P42574 1/20 0.35
GBA1 P04062 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
PGR P06401 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
SCHEMBL1021067 0.90 TAS2R14 (0.40) ALDH1A1KDM4EKEAP1LMNATSHR
SCHEMBL2008108 0.90 TAS2R14 (0.40) ALDH1A1KDM4EKEAP1LMNATSHR
SCHEMBL1022400 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EKEAP1LMNATSHR
SCHEMBL1023625 0.86 HTR7 (0.44) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1020162 0.85 NOS2 (0.40) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL2012105 0.85 TAS2R14 (0.41) ALDH1A1KDM4EKEAP1LMNASMN1; SMN2
SCHEMBL1021457 0.84 KEAP1 (0.39) ALDH1A1KDM4EKEAP1LMNANFE2L2
SCHEMBL2002634 0.83 MGAT3 (0.42) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL1021438 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EKEAP1KMT2ATDP1
SCHEMBL1019577 0.83 ALDH1A1 (0.38) ALDH1A1LMNATSHRHTTRECQL

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 5 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
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 608/4885KDM4E 4180/4885KEAP1 60/4885

“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.