SCHEMBL7572373

SCHEMBL7572373

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 4/20 0.62
CA12 O43570 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
IDH1 O75874 2/20 0.60
TDP1 Q9NUW8 1/20 0.59
POLB P06746 1/20 0.57
NFKBIA P25963 1/20 0.57
RELA Q04206 1/20 0.57
HTT P42858 2/20 0.56
SLC5A1 P13866 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
PDE2A O00408 1/20 0.55

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
SCHEMBL259390 0.88 MEN1 (0.66) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7571566 0.86 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7580547 0.86 IDH1 (0.71) L3MBTL1SMN1; SMN2IDH1
SCHEMBL95317 0.86 SMN1; SMN2 (0.60) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7571585 0.86 ALDH1A1 (0.66) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15646419 0.85 MEN1 (0.67) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3470566 0.84 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11407805 0.84 CA2 (0.63) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7571531 0.84 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL23832738 0.83 CA12 (0.61) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202339-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-10202339-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
CN-104822373-B Therapeutic compound and composition 安吉奥斯医药品有限公司 2018-08-28 CN disclosed
US-20150299115-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2015-10-22 US disclosed
EP-2906212-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2015-08-19 EP disclosed
CN-104822373-A Therapeutic compounds and compositions AGIOS PHARMACEUTICALS INC 2015-08-05 CN disclosed
WO-2014062511-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-04-24 WO disclosed
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 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-10202339-B2 Therapeutic compounds and compositions IDH3A, IDH1, IDH2 L3MBTL1 1282/4885SMN1; SMN2 524/4885MAPT 4036/4885
US-20150299115-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS IDH3A, IDH1, IDH2 L3MBTL1 1282/4885SMN1; SMN2 524/4885MAPT 4036/4885

“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.