SCHEMBL16356100

SCHEMBL16356100

CC(C)[C@H](NC(=O)CCc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.45
TMPRSS15 P98073 8/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HTT P42858 1/20 0.41
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL16356102 1.00 PRSS1 (0.45) PRSS1TMPRSS15GAAALDH1A1ITGB3
SCHEMBL16356097 0.93 PRSS1 (0.50) PRSS1TMPRSS15ALDH1A1ITGB3ITGA2B
SCHEMBL16356117 0.92 KMT2A (0.48) PRSS1TMPRSS15ALDH1A1ITGB3ITGA2B
SCHEMBL16356116 0.91 TMPRSS15 (0.48) PRSS1TMPRSS15GAAHTTMEN1
SCHEMBL16356125 0.91 TMPRSS15 (0.48) PRSS1TMPRSS15GAAHTTMEN1
SCHEMBL16356089 0.90 PRSS1 (0.46) PRSS1TMPRSS15ALDH1A1ITGB3ITGA2B
SCHEMBL16356107 0.90 PRSS1 (0.46) PRSS1TMPRSS15ALDH1A1ITGB3ITGA2B
SCHEMBL11309501 0.89 ALDH1A1 (0.54) PRSS1TMPRSS15GAAALDH1A1ITGB3
SCHEMBL16356101 0.87 TMPRSS15 (0.50) PRSS1TMPRSS15PRSS2PRSS3
SCHEMBL16356104 0.87 TMPRSS15 (0.50) PRSS1TMPRSS15PRSS2PRSS3

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-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 PRSS1 13/4885TMPRSS15 4/4885GAA 15/4885

“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.