SCHEMBL5404458

SCHEMBL5404458

COc1ccc(Cc2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
ALDH1A1 P00352 9/20 0.74
GGT1 P19440 1/20 0.74
HPGD P15428 2/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PKM P14618 2/20 0.62
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.54
HSD17B10 Q99714 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
SCHEMBL3467488 0.86 ALDH1A1 (0.79) POLBALDH1A1GGT1HPGDMEN1
SCHEMBL5391650 0.86 POLB (0.75) POLBALDH1A1GGT1HPGDMEN1
SCHEMBL3011618 0.85 ALDH1A1 (1.00) POLBALDH1A1GGT1HPGDMEN1
SCHEMBL2196666 0.82 ALDH1A1 (1.00) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL5391543 0.78 ALDH1A1 (0.72) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL5410555 0.78 MEN1 (1.00) POLBALDH1A1HPGDMEN1KMT2A
Glysobuzole SCHEMBL1815623 0.76 ALDH1A1 (1.00) POLBALDH1A1GGT1HPGDMEN1
SCHEMBL3467612 0.76 MEN1 (0.67) POLBALDH1A1GGT1HPGDMEN1
SCHEMBL5390639 0.75 ALDH1A1 (0.73) POLBALDH1A1GGT1MEN1KMT2A
SCHEMBL4692707 0.75 ALDH1A1 (0.65) POLBALDH1A1SMN1; SMN2LMNAGAA

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-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US disclosed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 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-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 POLB 615/4885ALDH1A1 53/4885GGT1 98/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 POLB 932/4885ALDH1A1 36/4885GGT1 168/4885

“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.