SCHEMBL7571585

SCHEMBL7571585

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
GAA P10253 2/20 0.66
TSHR P16473 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.61
GFER P55789 1/20 0.61
IDH1 O75874 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
PKM P14618 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL7571566 0.86 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2IDH1L3MBTL1MAPT
SCHEMBL95317 0.86 SMN1; SMN2 (0.60) ALDH1A1GAASMN1; SMN2IDH1L3MBTL1
SCHEMBL7580547 0.86 IDH1 (0.71) SMN1; SMN2IDH1L3MBTL1
SCHEMBL7572373 0.86 L3MBTL1 (0.67) ALDH1A1SMN1; SMN2IDH1L3MBTL1MAPT
SCHEMBL7571531 0.84 SMN1; SMN2 (0.67) ALDH1A1GAATSHRSMN1; SMN2IDH1
SCHEMBL18995908 0.81 GAA (0.75) ALDH1A1GAATSHRSMN1; SMN2GFER
SCHEMBL259390 0.80 MEN1 (0.66) ALDH1A1SMN1; SMN2IDH1L3MBTL1MAPT
SCHEMBL7571583 0.79 MEN1 (0.63) ALDH1A1GAASMN1; SMN2IDH1L3MBTL1
SCHEMBL11442412 0.78 CA2 (0.71) ALDH1A1GAASMN1; SMN2GFERMAPT
SCHEMBL29451393 0.78 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2L3MBTL1MAPT

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-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
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
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 ALDH1A1 84/4885GAA 2065/4885TSHR 4111/4885
US-20150299115-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS IDH3A, IDH1, IDH2 ALDH1A1 84/4885GAA 2065/4885TSHR 4111/4885

“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.