SCHEMBL17486396

SCHEMBL17486396

CC(=O)c1ccc(C[C@H](NC(=O)c2ccc3cc(O)ccc3c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 5/20 0.52
▸ ERAP2 Q6P179 4/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ROCK2 O75116 2/20 0.45
▸ LY96 Q9Y6Y9 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41

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
SCHEMBL17486360 0.84 KDR (0.44) LNPEPERAP2ERAP1ROCK2LY96
SCHEMBL28217498 0.82 LNPEP (0.58) LNPEPERAP2ERAP1ROCK2LY96
SCHEMBL28217499 0.82 LNPEP (0.58) LNPEPERAP2ERAP1ROCK2LY96
SCHEMBL7703695 0.80 LNPEP (0.53) LNPEPERAP2ERAP1ROCK2LY96
SCHEMBL22384242 0.80 LNPEP (0.55) LNPEPERAP2ERAP1ROCK2LY96
SCHEMBL15037126 0.80 LNPEP (0.55) LNPEPERAP2ERAP1ROCK2LY96
SCHEMBL17486458 0.79 LY96 (0.44) LNPEPERAP2ERAP1ROCK2LY96
SCHEMBL5921796 0.79 GPR132 (0.59) LNPEPERAP2ROCK2POLBMAPT
SCHEMBL5921742 0.79 GAA (0.64) LNPEPERAP2ERAP1
SCHEMBL5921740 0.79 GAA (0.64) LNPEPERAP2ERAP1

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 LNPEP 206/4885ERAP2 146/4885ERAP1 78/4885

“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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