SCHEMBL16355706

SCHEMBL16355706

CC(C)(C)OC(=O)c1ccc(C[C@H](NCc2ccccc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.63
ITGB7 P26010 2/20 0.63
ATM Q13315 2/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 4/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPR3 P17342 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL8336978 0.89 ITGA4 (0.67) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL28293650 0.89 ITGA4 (0.67) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL15876096 0.88 ITGA4 (0.60) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL2857976 0.86 ITGA4 (0.64) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL5887224 0.86 ITGA4 (0.64) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL5887302 0.86 ITGA4 (0.64) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL5887295 0.86 ITGA4 (0.64) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL5887221 0.86 ITGA4 (0.64) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL2857974 0.86 ITGA4 (0.64) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL19511478 0.82 ITGA4 (0.42) ITGA4ITGB7ATMSMN1; SMN2SLC7A5

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 ITGA4 4760/4885ITGB7 4771/4885ATM 3268/4885

“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.