SCHEMBL2158669

SCHEMBL2158669

Cc1ccc(S(=O)(=O)Nc2csc(-c3ccccc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RELA Q04206 4/20 0.53
NFKBIA P25963 3/20 0.53
AGTR1 P30556 1/20 0.53
OPRK1 P41145 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
NPY5R Q15761 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.40
THRB P10828 1/20 0.40
GUSB P08236 1/20 0.40

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
SCHEMBL2158066 0.86 SLC40A1 (0.55) MEN1KMT2ARELANFKBIASMN1; SMN2
SCHEMBL2158176 0.83 ALDH1A1 (0.52) MEN1KMT2ATDP1SMN1; SMN2GAA
SCHEMBL2158054 0.81 ALDH1A1 (0.52) MEN1KMT2ATDP1SMN1; SMN2GAA
SCHEMBL2157872 0.80 ALPL (0.55) MEN1KMT2ASMN1; SMN2GAAPKM
SCHEMBL2158328 0.77 MEN1 (0.49) MEN1KMT2ARELANFKBIATDP1
SCHEMBL2158210 0.77 NPSR1 (0.58) MEN1KMT2ARELANFKBIAAGTR1
SCHEMBL2158241 0.76 MEN1 (0.46) MEN1KMT2ARELANFKBIATDP1
SCHEMBL6625839 0.76 CA2 (0.63) MEN1KMT2ATDP1SMN1; SMN2L3MBTL1
SCHEMBL3807300 0.75 RELA (0.50) MEN1KMT2ARELANFKBIAAGTR1
SCHEMBL2157624 0.74 CNR1 (0.49) MEN1KMT2A

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 3270/4885RELA 1653/4885

“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.