SCHEMBL6322906

SCHEMBL6322906

Cc1ccsc1-c1noc(N)c1C(=O)NCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HDAC4 P56524 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6622123 0.89 POLB (0.39) GAAPOLBRAB9ANPC1HPGD
SCHEMBL6316911 0.89 MEN1 (0.45) GAAPOLBTP53RAB9ANPC1
SCHEMBL6323085 0.85 RAB9A (0.40) GAAPOLBTP53RAB9ANPC1
SCHEMBL6315256 0.84 ACACB (0.41) GAAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL6323243 0.84 HTT (0.48) GAAPOLBTP53SMN1; SMN2ALDH1A1
SCHEMBL6324184 0.83 ALDH1A1 (0.44) GAAPOLBTP53MDM2RAB9A
SCHEMBL6315672 0.83 POLB (0.41) POLBTP53RAB9ANPC1HPGD
SCHEMBL6316220 0.83 TSHR (0.44) GAAPOLBTP53RAB9ANPC1
SCHEMBL6324723 0.83 POLB (0.36) GAAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL6315404 0.82 KMT2A (0.47) GAAPOLBTP53HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 GAA 789/4885POLB 872/4885TP53 609/4885

“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.