SCHEMBL17433748

SCHEMBL17433748

CC(C)(C)OC(=O)c1ccc(C[C@H](NC(=O)c2cccc3cc(O)ccc23)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LY96 Q9Y6Y9 1/20 0.41
▸ CDK2 P24941 3/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ NTSR1 P30989 1/20 0.39

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
SCHEMBL28860347 1.00 KDR (0.44) KDRLNPEPMAPTTDP1POLB
SCHEMBL17486360 0.93 KDR (0.44) KDRLNPEPMAPTTDP1POLB
SCHEMBL28220875 0.93 PYGL (0.45) CDK2
SCHEMBL17449960 0.79 ITGB1 (0.46) KDRLNPEPCDK2
SCHEMBL17486396 0.76 LNPEP (0.52) LNPEPMAPTTDP1POLBLY96
SCHEMBL17486458 0.75 LY96 (0.44) KDRLNPEPMAPTTDP1POLB
SCHEMBL17486370 0.74 LY96 (0.47) MAPTTDP1POLBNPSR1KDM4E
SCHEMBL27616693 0.74 CTSL (0.60) LNPEPMAPTTDP1POLBLY96
SCHEMBL28217498 0.73 LNPEP (0.58) LNPEPMAPTTDP1POLBLY96
SCHEMBL28217499 0.73 LNPEP (0.58) LNPEPMAPTTDP1POLBLY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 — — EP disclosed
CN-105051008-B Guanidinobenzoic acid ester compounds 武田药品工业株式会社 2018-05-29 — — CN disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 — — US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 — — US disclosed
EP-2975023-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND Astellas Pharma Inc. (JP) 2016-01-20 — — 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 KDR 4766/4885LNPEP 206/4885MAPT 2721/4885

“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.

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