SCHEMBL3622331

SCHEMBL3622331

O=C(O)Cc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.58
MAOA P21397 1/20 0.58
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
SLC10A6 Q3KNW5 1/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL3622328 1.00 KDM1A (0.58) KDM1AMAOAMEN1KMT2AALDH1A1
SCHEMBL3612787 0.81 POLB (0.55) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL3611324 0.81 ALDH1A1 (0.58) KDM1AMAOAMEN1KMT2AALDH1A1
SCHEMBL3621786 0.81 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL3605382 0.81 HSD11B1 (0.60) KDM1AMAOAMEN1KMT2AALDH1A1
SCHEMBL3610490 0.81 KMT2A (0.73) KDM1AMAOAMEN1KMT2AALDH1A1
SCHEMBL3619172 0.80 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL3619367 0.80 ALDH1A1 (0.72) KDM1AMEN1KMT2AALDH1A1CYP2C9
SCHEMBL3617616 0.79 KDM1A (0.57) KDM1AMEN1KMT2AALDH1A1CYP2C9
SCHEMBL3613224 0.78 MEN1 (0.75) KDM1AMAOAMEN1KMT2AALDH1A1

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-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US claimed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US claimed
EP-1638553-A1 NEW USE I BIOVITRUM AB (SE) 2006-03-29 EP claimed
WO-2004112784-A1 NEW USE I BIOVITRUM AB (SE) 2004-12-29 WO claimed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US claimed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP claimed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO claimed
WO-2019075394-A1 COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME VANDERKLISH PETER (US) 2019-04-18 WO disclosed
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US disclosed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US disclosed
EP-1638553-A1 NEW USE I BIOVITRUM AB (SE) 2006-03-29 EP disclosed
WO-2004112784-A1 NEW USE I BIOVITRUM AB (SE) 2004-12-29 WO disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US disclosed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 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-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 KDM1A 1361/4885MAOA 346/4885MEN1 832/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 KDM1A 1569/4885MAOA 652/4885MEN1 752/4885

“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.