SCHEMBL30716049

SCHEMBL30716049

CC(C)(C)OC(=O)[C@H](Cc1ccc(I)cc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CTSS P25774 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LY96 Q9Y6Y9 1/20 0.32

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
SCHEMBL15702033 0.92 ITGA4 (0.38) ITGA4ITGB7CYP1A2CYP2D6ADORA1
SCHEMBL25336642 0.89 LDHA (0.36) ITGA4ITGB7CTSSCTSKATM
SCHEMBL25336645 0.89 LDHA (0.36) ITGA4ITGB7CTSSCTSKATM
SCHEMBL25338410 0.84 CSK (0.39) ITGA4ITGB7ADORA1POLBMAPT
SCHEMBL25338406 0.84 CSK (0.39) ITGA4ITGB7ADORA1POLBMAPT
SCHEMBL25528807 0.82 MTNR1A (0.33) ITGA4ITGB7
SCHEMBL6992860 0.80 ADORA1 (0.41) ITGA4ITGB7CYP1A2CYP2D6ADORA1
SCHEMBL6317673 0.80 MMP13 (0.39) ITGA4ADORA1
SCHEMBL1325198 0.80 MMP13 (0.39) ITGA4ADORA1
SCHEMBL1325201 0.80 MMP13 (0.39) ITGA4ADORA1

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-12612421-B2 Method for producing 4-borono-L-phenylalanine and intermediate thereof STELLA PHARMA CORPORATION (JP) 2026-04-28 — — US disclosed
US-20230416280-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE AND INTERMEDIATE THEREOF STELLA PHARMA CORPORATION (JP) 2023-12-28 — — 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 (2 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-20230416280-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE AND INTERMEDIATE THEREOF PAH, BCAT2, BCAT1 ITGA4 4164/4885ITGB7 3202/4885CYP1A2 197/4885
US-12612421-B2 Method for producing 4-borono-L-phenylalanine and intermediate thereof BCAT2, BCAT1, CLIC4 ITGA4 2860/4885ITGB7 3636/4885CYP1A2 472/4885

“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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