SCHEMBL3256644

SCHEMBL3256644

Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Nc1ncc(CC(=O)N2CCOCC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
FKBP1A P62942 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
GAA P10253 1/20 0.40
OGA O60502 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5831627 0.87 GAA (0.42) HSD11B1KMT2AMEN1PKMFKBP1A
SCHEMBL3254345 0.85 IDH1 (0.41) HSD11B1SCN5ASCN9AOGAPPARD
SCHEMBL3254936 0.84 HSD11B1 (0.59) HSD11B1KMT2AMEN1FKBP1ASMN1; SMN2
SCHEMBL3250322 0.84 HSD11B1 (0.54) HSD11B1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL3607578 0.84 HSD11B1 (0.56) HSD11B1KMT2AMEN1PKMFKBP1A
SCHEMBL5831252 0.84 PKM (0.41) HSD11B1KMT2AMEN1PKMFKBP1A
SCHEMBL3256465 0.84 KMT2A (0.47) HSD11B1KMT2APKMSMN1; SMN2GAA
SCHEMBL6695594 0.82 PKM (0.42) KMT2AMEN1PKMFKBP1ASMN1; SMN2
SCHEMBL6702506 0.81 PKM (0.42) KMT2AMEN1PKMFKBP1ASMN1; SMN2
SCHEMBL3255071 0.79 HSD11B1 (0.49) HSD11B1KMT2AFKBP1ASMN1; SMN2LMNA

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 9 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
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 1/4885KMT2A 3602/4885MEN1 808/4885
US-20030130318-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885KMT2A 3247/4885MEN1 770/4885

“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.