SCHEMBL5385481

SCHEMBL5385481

O=C(CS)Nc1ccc2c(c1)OCO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
HTT P42858 2/20 0.72
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
POLB P06746 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
LMNA P02545 3/20 0.67
KDM4E B2RXH2 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MAPT P10636 4/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
GAA P10253 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
PKM P14618 1/20 0.60
CYP2D6 P10635 1/20 0.58

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
SCHEMBL179086 0.87 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL28366072 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL29975649 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL6991114 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL12182474 0.84 GAA (0.82) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL5385475 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL4008895 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL23080078 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL10730276 0.81 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL179015 0.81 RAB9A (0.71) ALDH1A1SMN1; SMN2HTTRAB9ANPC1

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 15 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-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed
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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO 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 (4 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ALDH1A1 496/4885SMN1; SMN2 313/4885HTT 1082/4885
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 53/4885SMN1; SMN2 3568/4885HTT 3347/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885SMN1; SMN2 120/4885HTT 2000/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 ALDH1A1 36/4885SMN1; SMN2 3079/4885HTT 2479/4885

“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.