SCHEMBL2158328

SCHEMBL2158328

Cc1ccccc1S(=O)(=O)Nc1csc(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KMO O15229 1/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
IDH1 O75874 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
NFKBIA P25963 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL2158241 0.91 MEN1 (0.46) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2157975 0.82 HSD17B1 (0.45) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL2157826 0.82 KDM1A (0.48) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL2158472 0.82 HSD17B1 (0.45) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL2157637 0.82 HSD17B2 (0.58) LMNAALDH1A1HTTTDP1IDH1
SCHEMBL12464422 0.80 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL2158979 0.80 LMNA (0.47) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2157735 0.80 SLC22A12 (0.46) MEN1KMT2AALDH1A1TDP1IDH1
SCHEMBL2157668 0.79 HSD17B2 (0.49) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL2158359 0.79 MAPT (0.45) MEN1KMT2AMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS MEN1 3052/4885KMT2A 3270/4885KMO 2667/4885

“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.