SCHEMBL3251192

SCHEMBL3251192

CCCc1ccc(S(=O)(=O)Nc2ncc(CC(=O)N(CC)CC)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.48
GAB1 Q13480 5/20 0.48
IRS1 P35568 3/20 0.48
FFAR4 Q5NUL3 1/20 0.44
PDPK1 O15530 1/20 0.43
ABCB11 O95342 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5964659 0.93 AKT1 (0.45) AKT1GAB1IRS1FFAR4
SCHEMBL3251447 0.91 AKT1 (0.45) AKT1GAB1IRS1FFAR4PDPK1
SCHEMBL3248288 0.88 AKT1 (0.45) AKT1GAB1IRS1FFAR4PDPK1
SCHEMBL3256711 0.87 AKT1 (0.56) AKT1GAB1IRS1FFAR4PDPK1
SCHEMBL3256609 0.85 MEN1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL5831475 0.82 AKT1 (0.67) AKT1GAB1IRS1ALDH1A1
SCHEMBL5832128 0.81 AKT1 (0.47) AKT1GAB1IRS1FFAR4PDPK1
SCHEMBL3248063 0.80 HPGD (0.51) AKT1GAB1IRS1ALDH1A1
SCHEMBL3256147 0.79 TSHR (0.53) AKT1GAB1IRS1ALDH1A1
SCHEMBL3251304 0.79 HSD11B1 (0.49) AKT1GAB1IRS1ALDH1A1

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
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
WO-2004112782-A1 NEW USE V BIOVITRUM AB (SE) 2004-12-29 WO 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 AKT1 1528/4885GAB1 2288/4885IRS1 572/4885
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD3B1 AKT1 1462/4885GAB1 1903/4885IRS1 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.