SCHEMBL2158241

SCHEMBL2158241

Cc1ccccc1S(=O)(=O)Nc1csc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKBIA P25963 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2158328 0.91 MEN1 (0.49) MEN1KMT2ASMN1; SMN2GAAL3MBTL1
SCHEMBL2157668 0.83 HSD17B2 (0.49) SMN1; SMN2GAATDP1LMNAHTT
SCHEMBL2158359 0.83 MAPT (0.45) MEN1KMT2ATDP1MAPTHTT
SCHEMBL2157786 0.83 KDM1A (0.45) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL2157979 0.83 KDM1A (0.59) TDP1ALDH1A1KDM1AMAOAIDH1
SCHEMBL6625839 0.82 CA2 (0.63) MEN1KMT2ASMN1; SMN2L3MBTL1CA12
SCHEMBL12464422 0.82 ALDH1A1 (0.54) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL2158575 0.81 LMNA (0.50) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL2157859 0.81 TP53 (0.44) MEN1KMT2APKMTDP1MAPT
SCHEMBL2158289 0.81 TSHR (0.48) MEN1KMT2AGAAMAPTALDH1A1

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 3270/4885PKM 2622/4885

“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.