SCHEMBL5401322

SCHEMBL5401322

CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
HPGD P15428 1/20 0.61
POLB P06746 2/20 0.55
PTPN1 P18031 1/20 0.51
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
AMY1A P0DUB6 1/20 0.47

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
SCHEMBL5398574 0.83 ALDH1A1 (0.73) ALDH1A1HSD17B10KMT2AHPGDCA2
SCHEMBL5404610 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10MEN1KMT2APOLB
Glyprothiazol SCHEMBL1814714 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCA12CA2
SCHEMBL5388827 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL2197662 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL5401314 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10KMT2AHPGDCA2
SCHEMBL5391543 0.81 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL5395237 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10MEN1KMT2ACA12
SCHEMBL14582750 0.80 MEN1 (0.66) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL4594513 0.79 ALDH1A1 (0.67) ALDH1A1HSD17B10KMT2ACA12CA2

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-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US claimed
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 ALDH1A1 53/4885HSD17B10 22/4885MEN1 942/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 ALDH1A1 36/4885HSD17B10 16/4885MEN1 974/4885

“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.