SCHEMBL5875702

SCHEMBL5875702

CC(NC(=O)C(OC(=O)C(O)C(C)(C)C)C(C)(C)C)C(=O)Nc1ncc(C(C)C)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.56
PSEN2 P49810 11/20 0.56
APH1B Q8WW43 11/20 0.56
NCSTN Q92542 11/20 0.56
APH1A Q96BI3 11/20 0.56
PSENEN Q9NZ42 11/20 0.56
CDK2 P24941 7/20 0.52
CCNE1 P24864 6/20 0.52
CDK5 Q00535 6/20 0.52
CCNT1 O60563 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 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
SCHEMBL8252507 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875507 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8257260 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8258681 0.79 CDK2 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875482 0.79 CDK2 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8260342 0.79 CDK2 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875523 0.79 CDK2 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6820532 0.78 CDK2 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8258699 0.76 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875550 0.76 PSEN1 (0.63) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP PSEN1 5/4885PSEN2 7/4885APH1B 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.