SCHEMBL5040936

SCHEMBL5040936

CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CCC(C)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.44
▸ CTSS P25774 6/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40

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
SCHEMBL5140060 0.88 CTSK (0.44) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL5045331 0.82 CTSK (0.48) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL5047380 0.81 CTSK (0.46) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL5042195 0.79 CTSK (0.43) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL5044877 0.78 CTSK (0.44) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL5044879 0.78 CTSK (0.44) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL5040430 0.77 CTSK (0.43) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL5040428 0.77 CTSK (0.43) CTSKCTSSMAPK1L3MBTL1HDAC4
SCHEMBL6470329 0.75 CYP3A4 (0.48) MAPK1L3MBTL1HDAC4HDAC1HDAC8
SCHEMBL17571407 0.73 TSHR (0.56) CTSKCTSSMAPK1L3MBTL1

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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 — — EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 — — EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 — — US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 — — 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA CTSK 638/4885CTSS 737/4885MAPK1 4024/4885

“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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