SCHEMBL17486458

SCHEMBL17486458

CC(=O)c1ccc(C[C@H](NC(=O)c2csc3cc(O)ccc23)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LY96 Q9Y6Y9 1/20 0.44
▸ LNPEP Q9UIQ6 3/20 0.42
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ERAP2 Q6P179 2/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL20195714 0.88 LY96 (0.45) LY96LNPEPMAPTTDP1POLB
SCHEMBL17486360 0.82 KDR (0.44) LY96LNPEPMAPTTDP1POLB
SCHEMBL17486396 0.79 LNPEP (0.52) LY96LNPEPMAPTTDP1POLB
SCHEMBL17486406 0.77 MAPT (0.38) MAPTTDP1POLB
SCHEMBL28860347 0.75 KDR (0.44) LY96LNPEPMAPTTDP1POLB
SCHEMBL17433748 0.75 KDR (0.44) LY96LNPEPMAPTTDP1POLB
SCHEMBL28217498 0.73 LNPEP (0.58) LY96LNPEPMAPTTDP1POLB
SCHEMBL28217499 0.73 LNPEP (0.58) LY96LNPEPMAPTTDP1POLB
SCHEMBL22384242 0.72 LNPEP (0.55) LY96LNPEPMAPTTDP1POLB
SCHEMBL15037126 0.72 LNPEP (0.55) LY96LNPEPMAPTTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LY96 2686/4885LNPEP 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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