SCHEMBL15876010

SCHEMBL15876010

C[C@H](NCc1csc(C(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 2/20 0.32
ABCB1 P08183 1/20 0.32
POLB P06746 1/20 0.31
SLC7A5 Q01650 1/20 0.31
XBP1 P17861 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL17433747 1.00 NPSR1 (0.35) NPSR1MAPTALDH1A1ITGA4ITGB7
SCHEMBL17433724 0.76 MAPT (0.36) NPSR1MAPT
SCHEMBL13612626 0.75 NPSR1 (0.43) NPSR1MAPTALDH1A1ITGA4ITGB7
SCHEMBL13141281 0.75 MAPT (0.42) NPSR1MAPTALDH1A1POLBSLC7A5
SCHEMBL13141300 0.75 MAPT (0.42) NPSR1MAPTALDH1A1POLBSLC7A5
SCHEMBL19511832 0.74 SLC7A5 (0.55) NPSR1ALDH1A1ITGA4ITGB7SLC7A5
SCHEMBL19511833 0.74 SLC7A5 (0.55) NPSR1ALDH1A1ITGA4ITGB7SLC7A5
SCHEMBL18152974 0.74 MAPT (0.39) NPSR1MAPTALDH1A1SLC7A5TDP1
SCHEMBL11612347 0.74 NPSR1 (0.53) NPSR1MAPTALDH1A1ITGA4ITGB7
SCHEMBL1508642 0.74 NPSR1 (0.53) NPSR1MAPTALDH1A1ITGA4ITGB7

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
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
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
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 NPSR1 3516/4885MAPT 1339/4885ALDH1A1 2023/4885

“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.