SCHEMBL3253473

SCHEMBL3253473

O=C(O)Cc1cnc(NS(=O)(=O)c2ccc(Br)cc2F)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.40
HSD11B1 P28845 1/20 0.39
PPARG P37231 1/20 0.38
PFKFB4 Q16877 1/20 0.38
SCN8A Q9UQD0 4/20 0.38
SCN1A P35498 3/20 0.38
SCN5A Q14524 3/20 0.38
SCN9A Q15858 4/20 0.36
JAK1 P23458 1/20 0.35
VSIR Q9H7M9 1/20 0.35
SCD O00767 1/20 0.35
EIF2AK3 Q9NZJ5 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
SCHEMBL3255338 0.89 BRD4 (0.43) PIK3C3HSD11B1SCN9A
SCHEMBL3253302 0.85 HSD11B1 (0.42) CYP2C9HSD11B1PPARGSCN8ASCN1A
SCHEMBL3258378 0.83 HSD11B1 (0.41) HSD11B1SCN8ASCN1ASCN5ASCN9A
SCHEMBL3254082 0.80 HSD11B1 (0.46) PIK3C3HSD11B1SCN8ASCN1ASCN5A
SCHEMBL6693215 0.79 NMT1 (0.55) NMT1CYP3A4CYP2C9CYP2C19PIK3C3
SCHEMBL3255842 0.78 NMT1 (0.43) NMT1CYP3A4CYP2C9CYP2C19PIK3C3
SCHEMBL3252428 0.78 HSD11B1 (0.38) HSD11B1PFKFB4SCN8ASCN1ASCN5A
SCHEMBL3254728 0.78 MEP1B (0.46) HSD11B1
SCHEMBL3622234 0.78 KMT2A (0.45) NMT1CYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL3258413 0.77 HSD11B1 (0.47) HSD11B1JAK1

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
EP-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed
US-7671051-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2010-03-02 US claimed
US-20050250776-A1 Inhibitors of 11-beta-hydroxy steriod dehydrogenase type 1 BIOVITRUM AB 2005-11-10 US claimed
WO-2004112782-A1 NEW USE V BIOVITRUM AB (SE) 2004-12-29 WO claimed
EP-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP claimed
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US claimed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
WO-2019075394-A1 COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME VANDERKLISH PETER (US) 2019-04-18 WO disclosed
EP-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP disclosed
US-7671051-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2010-03-02 US disclosed
US-7094792-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2006-08-22 US disclosed
US-20050250776-A1 Inhibitors of 11-beta-hydroxy steriod dehydrogenase type 1 BIOVITRUM AB 2005-11-10 US disclosed
EP-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US disclosed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 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-20050250776-A1 Inhibitors of 11-beta-hydroxy steriod dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 NMT1 671/4885CYP3A4 139/4885CYP2C9 196/4885
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD3B1 NMT1 666/4885CYP3A4 160/4885CYP2C9 215/4885

“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.