SCHEMBL5092352

SCHEMBL5092352

Cc1ccc(S(=O)(=O)OC(CC(N)Nc2ccc([N+](=O)[O-])cn2)C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
KMT2A Q03164 5/20 0.41
HSP90AA1 P07900 1/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
CCR6 P51684 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 7/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 3/20 0.39
F2 P00734 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5100883 0.86 MAPT (0.45) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL5094693 0.84 RAB9A (0.43) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL5093456 0.75 ALDH1A1 (0.34) RAB9AKMT2AALDH1A1NPC1MAPT
SCHEMBL5089393 0.73 GAA (0.48) RAB9AKMT2AALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL5094689 0.72 GAA (0.47) RAB9AKMT2AALDH1A1HPGDNPC1
SCHEMBL6086161 0.69 PKM (0.33) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL5100874 0.69 RAB9A (0.48) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL7020671 0.68 SMN1; SMN2 (0.49) RAB9AKMT2AALDH1A1HPGDNPC1
SCHEMBL30354936 0.67 ALDH1A1 (0.67) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL3381391 0.67 ALDH1A1 (0.67) RAB9AKMT2AHSP90AA1CXCR5APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4060/4885KMT2A 3490/4885HSP90AA1 1457/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885KMT2A 3652/4885HSP90AA1 1343/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885KMT2A 3652/4885HSP90AA1 1343/4885

“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.