SCHEMBL3688092

SCHEMBL3688092

CC(=O)OC1C[C@@H](C(=O)O)N(C(C)=O)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
MMP2 P08253 4/20 0.40
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
ANPEP P15144 3/20 0.40
CD274 Q9NZQ7 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
SCHEMBL11225361 1.00 ATM (0.58) ATMMMP2CHRM2CHRM4CHRM5
SCHEMBL26122697 0.89 ATM (0.44) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL26118772 0.89 ATM (0.44) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL7348060 0.84 ATM (0.59) ATMMMP2ANPEP
SCHEMBL2607041 0.84 ATM (0.59) ATMMMP2ANPEP
SCHEMBL7348056 0.84 ATM (0.59) ATMMMP2ANPEP
SCHEMBL13375877 0.81 HSD17B10 (0.39) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL2248123 0.81 HSD17B10 (0.39) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL3843496 0.81 HSD17B10 (0.39) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL18009450 0.80 ATM (0.47) ATMMMP2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703750-B2 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2014-04-22 US disclosed
US-20100317519-A1 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2010-12-16 US disclosed
US-20070173459-A1 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2007-07-26 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-20070173459-A1 Mixtures and methods for the induction of resistance in plants SLC11A2, MYD88, ME2 ATM 234/4885MMP2 3821/4885CHRM2 233/4885
US-20100317519-A1 Mixtures and methods for the induction of resistance in plants SLC11A2, MYD88, ME2 ATM 234/4885MMP2 3821/4885CHRM2 233/4885

“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.