SCHEMBL12550106

SCHEMBL12550106

CC(=O)c1ccc(S(=O)(=O)N2CCCC(C)(O)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.71
▸ MAPT P10636 2/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ HSD11B1 P28845 2/20 0.68
▸ LMNA P02545 1/20 0.59
▸ TSHR P16473 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ GFER P55789 1/20 0.53
▸ GLA P06280 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ATM Q13315 1/20 0.48

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
SCHEMBL11536910 0.84 ALDH1A1 (1.00) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26313603 0.82 ALDH1A1 (0.97) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2981180 0.82 ALDH1A1 (0.97) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12550301 0.81 HSD11B1 (1.00) ALDH1A1MAPTHSD11B1LMNAKMT2A
SCHEMBL17290508 0.80 ALDH1A1 (0.69) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12550071 0.80 HSD11B1 (0.83) ALDH1A1MAPTHSD11B1LMNATSHR
SCHEMBL4130602 0.77 ALDH1A1 (0.60) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16013324 0.77 HSD11B1 (0.62) ALDH1A1HSD11B1LMNATSHRGLA
SCHEMBL20722196 0.76 ALDH1A1 (0.62) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5560091 0.75 LMNA (1.00) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION 2011-06-02 — — US disclosed
US-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION 2011-06-02 — — US disclosed
WO-2009023664-A2 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION (US) 2009-02-19 — — 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 (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-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 45/4885MAPT 4599/4885NPC1 833/4885

“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.

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