SCHEMBL5452631

SCHEMBL5452631

CC(C)(C)N(C(=O)O)C1CSCCN(Cc2cc(F)cc(F)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.36
▸ BACE1 P56817 2/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ PTGER2 P43116 1/20 0.31

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
SCHEMBL5449462 0.87 ALDH1A1 (0.37) SRC
SCHEMBL5455919 0.85 SRC (0.34) SRC
SCHEMBL5458277 0.82 MMP13 (0.39) SRC
SCHEMBL5464440 0.78 — —
SCHEMBL5464431 0.77 KDM4E (0.32) —
SCHEMBL1996572 0.75 XIAP (0.44) —
SCHEMBL1996571 0.75 XIAP (0.44) —
SCHEMBL4501161 0.74 SRC (0.49) SRCBACE1
SCHEMBL5220593 0.73 SRC (0.36) SRC
SCHEMBL13818394 0.73 SRC (0.49) SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 — — 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 SRC 716/4885BACE1 3091/4885PTGER4 2612/4885

“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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