SCHEMBL7580547

SCHEMBL7580547

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

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.71
MCL1 Q07820 1/20 0.60
FLT1 P17948 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
NHERF1 O14745 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CDK7 P50613 1/20 0.56
CCNH P51946 1/20 0.56
CCNA1 P78396 1/20 0.56

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) IDH1SMN1; SMN2L3MBTL1
SCHEMBL95317 0.86 SMN1; SMN2 (0.60) IDH1SMN1; SMN2L3MBTL1
SCHEMBL7571585 0.86 ALDH1A1 (0.66) IDH1SMN1; SMN2L3MBTL1
SCHEMBL7572373 0.86 L3MBTL1 (0.67) IDH1SMN1; SMN2L3MBTL1
SCHEMBL15646419 0.86 MEN1 (0.67) IDH1MCL1FLT1FLT4KDR
SCHEMBL23832701 0.85 IDH1 (0.54) IDH1MCL1NHERF1
SCHEMBL30218156 0.85 IDH1 (0.54) IDH1MCL1NHERF1
SCHEMBL25754707 0.84 MAPT (0.54) IDH1MCL1NHERF1L3MBTL1
SCHEMBL7571531 0.84 SMN1; SMN2 (0.67) IDH1SMN1; SMN2L3MBTL1
SCHEMBL25754777 0.84 IDH1 (0.53) IDH1MCL1NHERF1

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 IDH1 2/4885MCL1 5/4885FLT1 1387/4885
US-20150299115-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS IDH3A, IDH1, IDH2 IDH1 2/4885MCL1 5/4885FLT1 1387/4885

“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.