SCHEMBL3947043

SCHEMBL3947043

Cc1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
GAA P10253 1/20 0.66
PKM P14618 2/20 0.57
NFKBIA P25963 3/20 0.55
RELA Q04206 3/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
SLC5A1 P13866 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52

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
SCHEMBL3948004 0.77 ALDH1A1 (0.56) SMN1; SMN2GAANFKBIARELAMEN1
SCHEMBL17805683 0.77 PKM (0.71) SMN1; SMN2GAAPKMNFKBIARELA
SCHEMBL26844388 0.76 SMN1; SMN2 (0.56) SMN1; SMN2GAAPKMNFKBIARELA
SCHEMBL7451030 0.76 PKM (0.64) SMN1; SMN2GAAPKMNFKBIARELA
SCHEMBL31275770 0.74 KMT2A (0.54) SMN1; SMN2GAAPKMNFKBIARELA
SCHEMBL29134055 0.74 KMT2A (0.67) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL3780817 0.74 PKM (0.63) SMN1; SMN2GAAPKMNFKBIARELA
SCHEMBL31421803 0.74 PKM (0.67) SMN1; SMN2GAAPKMNFKBIARELA
SCHEMBL11973619 0.74 SLC40A1 (0.68) SMN1; SMN2GAAPKMNFKBIARELA
SCHEMBL4291285 0.74 ALDH1A1 (0.68) SMN1; SMN2GAAPKMNFKBIARELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-20040176426-A1 FXR modulators TULARIK, INC. 2004-09-09 US disclosed
US-6777446-B2 FARNESOID X RECEPTOR; TREATING DISEASES ASSOCIATED WITH ABNORMALLY HIGH OR LOW CHOLESTEROL LEVELS. TULARIK, INC. 2004-08-17 US disclosed
US-20020120137-A1 Farnesoid X receptor; treating diseases associated with abnormally high or low cholesterol levels. TULARIK INC. 2002-08-29 US disclosed
WO-2002020463-A2 FXR MODULATORS TULARIK INC. (US) 2002-03-14 WO 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 (2 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-20020120137-A1 Farnesoid X receptor; treating diseases associated with abnormally high or low cholesterol levels. NR1H4, NR1H2, NR1H3 SMN1; SMN2 4857/4885GAA 1648/4885PKM 4032/4885
US-20040176426-A1 FXR modulators NR1H4, CYP7A1, CYP7B1 SMN1; SMN2 4872/4885GAA 1092/4885PKM 4087/4885

“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.