SCHEMBL14854046

SCHEMBL14854046

C[C@H](CO)NC(=O)c1ccc(CN(C2CCCC(C(F)(F)F)C2)S(=O)(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.44
▸ PSEN2 P49810 5/20 0.44
▸ APH1B Q8WW43 5/20 0.44
▸ NCSTN Q92542 5/20 0.44
▸ APH1A Q96BI3 5/20 0.44
▸ PSENEN Q9NZ42 5/20 0.44
▸ HDAC6 Q9UBN7 9/20 0.41
▸ HDAC8 Q9BY41 5/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC11 Q96DB2 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ HDAC4 P56524 3/20 0.36

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
SCHEMBL15969576 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15981130 0.88 HDAC6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14845326 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14842767 0.85 MEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15968725 0.83 HDAC6 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14853986 0.83 HDAC6 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14845327 0.79 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14854038 0.79 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14853990 0.76 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14842820 0.75 PSEN1 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243374-A1 Novel Sulfonamides BRIGHAM & WOMENS HOSPITAL (US) 2014-08-28 — — US disclosed
US-20140243374-A1 Novel Sulfonamides BRIGHAM & WOMENS HOSPITAL (US) 2014-08-28 — — US disclosed
US-20140243374-A1 Novel Sulfonamides BRIGHAM & WOMENS HOSPITAL (US) 2014-08-28 — — US disclosed
WO-2013052700-A1 NOVEL SULFONAMIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-04-11 — — 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-20140243374-A1 Novel Sulfonamides BACE1, BACE2, GSAP PSEN1 4/4885PSEN2 5/4885APH1B 7/4885

“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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