SCHEMBL4854136

SCHEMBL4854136

CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C2CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.49
LMNA P02545 3/20 0.46
GLS O94925 1/20 0.44
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAF1 P04049 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL3900682 0.83 POLB (0.57) CTSKCTSSGLSALDH1A1SMN1; SMN2
SCHEMBL3903981 0.83 GLS (0.56) CTSKCTSSLMNAGLSALDH1A1
SCHEMBL3900706 0.82 CTSK (0.53) CTSKCTSSGLSRAB9ANPC1
SCHEMBL3911689 0.80 CTSK (0.50) CTSKCTSSGLSSMN1; SMN2MEN1
SCHEMBL4857277 0.76 CTSK (0.47) CTSKCTSSGLSSMN1; SMN2MEN1
SCHEMBL6823643 0.76 PSEN1 (0.58) CTSKCTSSHDAC3HDAC4HDAC1
SCHEMBL6826168 0.75 PSEN1 (0.53) CTSKCTSSHDAC3HDAC4HDAC1
SCHEMBL6824738 0.74 PSEN1 (0.53) CTSKCTSSSMN1; SMN2HDAC3HDAC4
SCHEMBL6820524 0.73 HSPA5 (0.61) CTSKCTSSALDH1A1SMN1; SMN2
SCHEMBL5128729 0.73 PSEN1 (0.72)

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-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-10-09 US disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 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 (2 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-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 CTSK 810/4885CTSS 1015/4885LMNA 1218/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 CTSK 810/4885CTSS 1015/4885LMNA 1218/4885

“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.