SCHEMBL3253323

SCHEMBL3253323

CCCc1ccc(S(=O)(=O)Nc2ncc(CC(=O)N3CCS(=O)(=O)CC3)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
AKT1 P31749 5/20 0.41
IRS1 P35568 3/20 0.41
GAB1 Q13480 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
NAMPT P43490 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3253320 0.93 HSD11B1 (0.50) HSD11B1AKT1IRS1GAB1TSHR
SCHEMBL3248063 0.90 HPGD (0.51) HSD11B1AKT1IRS1GAB1TSHR
SCHEMBL3256147 0.89 TSHR (0.53) HSD11B1AKT1IRS1GAB1TSHR
SCHEMBL3251304 0.89 HSD11B1 (0.49) HSD11B1AKT1IRS1GAB1TSHR
SCHEMBL5830807 0.84 AKT1 (0.57) AKT1IRS1GAB1TSHRALDH1A1
SCHEMBL5831431 0.83 ALDH1A1 (0.41) AKT1IRS1GAB1TSHRALDH1A1
SCHEMBL3613936 0.81 HSD11B1 (0.50) HSD11B1AKT1IRS1GAB1TSHR
SCHEMBL3256711 0.81 AKT1 (0.56) AKT1IRS1GAB1ALDH1A1
SCHEMBL6624840 0.80 HSD11B1 (0.44) HSD11B1AKT1IRS1GAB1HPGD
SCHEMBL6625787 0.79 ALDH1A1 (0.41) TSHRALDH1A1MAPTNAMPTHPGD

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
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
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US claimed
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
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US 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 HSD11B1 1/4885AKT1 1528/4885IRS1 572/4885
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885AKT1 1462/4885IRS1 867/4885

“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.