SCHEMBL805188

SCHEMBL805188

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nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
CPA1 P15085 1/20 0.36
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25933467 0.82 TSHR (0.38) CPA1
SCHEMBL585119 0.79 ANPEP (0.48) ANPEPENPEPMAPTSLC22A6TDP1
SCHEMBL23928904 0.79 ITGB3 (0.39) ITGB3ITGA2BCPA1GRIK1GRIK2
SCHEMBL1853265 0.79 ITGB3 (0.36) ITGB3ITGA2BCPA1GRIK1GRIK2
SCHEMBL20565058 0.77
SCHEMBL11897680 0.76 ITGB3 (0.35) ITGB3ITGA2BCPA1
Acrylamide SCHEMBL21195072 0.75 TSHR (0.46) ITGB3ITGA2BANPEPENPEPCPA1
SCHEMBL4075575 0.75 ITGB3 (0.39) ITGB3ITGA2BCPA1GRIK1GRIK2
SCHEMBL13168637 0.74 TDP1 (0.41) ANPEPENPEPMAPTTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL21195073 0.74 TSHR (0.30)

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-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
EP-2311786-A2 Methods for synthesis of encoded libraries Praecis Pharmaceuticals Inc. (US) 2011-04-20 EP 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT ITGB3 4259/4885ITGA2B 4355/4885ANPEP 372/4885

“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.