SCHEMBL6316552

SCHEMBL6316552

CCC(CC)NC(=O)c1c(-c2ccc(Cl)s2)noc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
CA4 P22748 6/20 0.57
CA7 P43166 6/20 0.57
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC4 P56524 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
SCHEMBL6318530 0.90 CA1 (0.56) CA1CA2CA4CA7KDM4E
SCHEMBL6323195 0.87 CA1 (0.43) CA1CA2CA4CA7HTT
SCHEMBL6315030 0.87 CA1 (0.60) CA1CA2CA4CA7HTT
SCHEMBL6323914 0.86 CA1 (0.42) CA1CA2CA4CA7HTT
SCHEMBL6323300 0.86 CA1 (0.54) CA1CA2CA4CA7KDM4E
SCHEMBL6323781 0.84 CA1 (0.55) CA1CA2CA4CA7KDM4E
SCHEMBL6320688 0.83 CA1 (0.52) CA1CA2CA4CA7KDM4E
SCHEMBL6321613 0.83 CA1 (0.58) CA1CA2CA4CA7KDM4E
SCHEMBL6315654 0.83 CA1 (0.53) CA1CA2CA4CA7HTT
SCHEMBL6318181 0.82 CA1 (0.51) CA1CA2CA4CA7KDM4E

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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 CA1 2406/4885CA2 2764/4885CA4 4029/4885

“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.