SCHEMBL2702636

SCHEMBL2702636

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2c[nH]nc2-c2cc(F)c(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.45
▸ PSEN2 P49810 6/20 0.45
▸ APH1B Q8WW43 6/20 0.45
▸ NCSTN Q92542 6/20 0.45
▸ APH1A Q96BI3 6/20 0.45
▸ PSENEN Q9NZ42 6/20 0.45
▸ BRS3 P32247 4/20 0.39
▸ NOX4 Q9NPH5 3/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.36
▸ RORC P51449 2/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL485892 0.76 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2703723 0.75 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2705130 0.74 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL486302 0.73 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2702849 0.73 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2705166 0.70 KDM4E (0.52) MAPTNR1I2
SCHEMBL2703631 0.70 KCNN4 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2702931 0.69 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2196114 0.66 TRPA1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13080801 0.66 PSEN1 (0.46) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 — — EP claimed
EP-2038280-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2009-03-25 — — EP claimed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 — — US claimed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 — — WO claimed
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 — — EP disclosed
EP-2038280-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2009-03-25 — — EP disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 — — US disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 — — 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 7/4885APH1B 6/4885

“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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