SCHEMBL16320655

SCHEMBL16320655

CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.54
ITGA2B P08514 6/20 0.54
CTSL P07711 2/20 0.54
CTSK P43235 2/20 0.54
P2RX7 Q99572 7/20 0.51
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
SYK P43405 1/20 0.48

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
SCHEMBL16355729 0.88 ITGB3 (0.55) ITGB3ITGA2BCTSLCTSKP2RX7
SCHEMBL9219338 0.88 CTSK (0.62) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL19485480 0.88 CTSK (0.62) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL25320494 0.87 HDAC8 (0.58) ITGB3ITGA2BCTSLCTSKP2RX7
SCHEMBL9995844 0.86 CTSK (0.60) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL2058584 0.86 CTSK (0.60) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL15018841 0.86 CTSK (0.60) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL22457264 0.85 CTSL (0.61) ITGB3ITGA2BCTSLCTSKP2RX7
Water SCHEMBL15019511 0.85 CTSS (0.62) ITGB3ITGA2BCTSLCTSKCTSB
Water SCHEMBL15019510 0.85 CTSS (0.62) ITGB3ITGA2BCTSLCTSKCTSB

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 3 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

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 ITGB3 4757/4885ITGA2B 3890/4885CTSL 1456/4885

“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.