SCHEMBL8817879

SCHEMBL8817879

COc1ccc(-c2ccccc2S(=O)(=O)Nc2ccc(-n3cnc(C)c3)c(OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 17/20 0.60
▸ PSEN2 P49810 17/20 0.60
▸ APH1B Q8WW43 17/20 0.60
▸ NCSTN Q92542 17/20 0.60
▸ APH1A Q96BI3 17/20 0.60
▸ PSENEN Q9NZ42 17/20 0.60
▸ BRD4 O60885 1/20 0.46
▸ BRD2 P25440 1/20 0.46
▸ BRPF1 P55201 1/20 0.46
▸ BRD3 Q15059 1/20 0.46
▸ BRDT Q58F21 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL8818009 0.93 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9264789 0.92 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8817904 0.92 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9266959 0.92 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9265117 0.91 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8817900 0.91 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9262711 0.91 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9266559 0.90 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8817981 0.90 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9262665 0.90 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — US disclosed
EP-2455370-A1 PHARMACEUTICAL PRODUCT CONTAINING LACTAM OR BENZENE SULFONAMIDE COMPOUND Shionogi&Co., Ltd. (JP) 2012-05-23 — — EP 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP PSEN1 9/4885PSEN2 20/4885APH1B 31/4885

“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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