SCHEMBL12786804

SCHEMBL12786804

CC(C)(C)c1ccc(S(=O)(=O)N2CC3CC2CN3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 1.00
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL12786753 1.00 HSD11B1 (1.00) HSD11B1ACHELMNAGAAALDH1A1
SCHEMBL18381180 0.87 HSD11B1 (0.77) HSD11B1ALDH1A1
SCHEMBL12786839 0.87 HSD11B1 (0.77) HSD11B1ACHEALDH1A1
SCHEMBL30121385 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL4413069 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL4405981 0.82 HSD11B1 (0.69) HSD11B1
SCHEMBL31471935 0.81 HSD11B1 (0.67) HSD11B1GAAALDH1A1
SCHEMBL31471931 0.80 HSD11B1 (0.67) HSD11B1LMNAALDH1A1
SCHEMBL31472000 0.79 HSD11B1 (0.65) HSD11B1LMNAALDH1A1
SCHEMBL4403548 0.78 HSD11B1 (0.64) HSD11B1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059929-A1 SUBSTITUTED BICYCLIC PIPERIDINYL-AND PIPERAZINYL- SULFONAMIDES USEFUL TO INHIBIT 11beta-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION 2011-03-10 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 (1 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-20110059929-A1 SUBSTITUTED BICYCLIC PIPERIDINYL-AND PIPERAZINYL- SULFONAMIDES USEFUL TO INHIBIT 11beta-HYDROXYSTEROID DEHYDROGENASE TYPE-1 HSD17B11, HSD17B1, HSD11B1 HSD11B1 3/4885ACHE 3046/4885LMNA 2003/4885

“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.