SCHEMBL6318609

SCHEMBL6318609

CCCCCC(C)NC(=O)c1c(-c2ccc(C)s2)noc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MLYCD O95822 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
ACACB O00763 1/20 0.39
TSHR P16473 1/20 0.34
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP12 P39900 4/20 0.34
MMP13 P45452 3/20 0.34
MMP8 P22894 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL6316712 0.99 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL6316576 0.93 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL6317682 0.91 MLYCD (0.39) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL885425 0.91 CA1 (0.40) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL6318491 0.90 MLYCD (0.39) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL6321622 0.90 MLYCD (0.39) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL6320688 0.90 CA1 (0.52) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL6323618 0.89 MLYCD (0.38) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL6318181 0.89 CA1 (0.51) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL6315927 0.88 TSHR (0.43) TAS1R3TAS1R1CA1CA2CA4

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 TAS1R3 4289/4885TAS1R1 4258/4885TAS1R2 4472/4885

“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.