SCHEMBL6978591

SCHEMBL6978591

COc1cc(/C=C/c2nc3cc(S(C)(=O)=O)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 15/20 1.00
▸ PSEN2 P49810 15/20 1.00
▸ APH1B Q8WW43 15/20 1.00
▸ NCSTN Q92542 15/20 1.00
▸ APH1A Q96BI3 15/20 1.00
▸ PSENEN Q9NZ42 15/20 1.00
▸ APP P05067 1/20 0.77
▸ KCNH2 Q12809 8/20 0.73
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44
▸ TUBB4B P68371 2/20 0.44
▸ TUBB3 Q13509 2/20 0.44
▸ TUBB2A Q13885 2/20 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
Trifluoroacetic Acid SCHEMBL3620078 0.93 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL3620071 0.93 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6986481 0.89 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6978573 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6986915 0.87 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6978512 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6982608 0.87 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6977895 0.86 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6977987 0.85 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6978087 0.84 PSEN1 (0.83) 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-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 — — US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 — — US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 — — 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 PSEN1 2/4885PSEN2 1/4885APH1B 20/4885

“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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