SCHEMBL18928696

SCHEMBL18928696

COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.56
ITGB7 P26010 2/20 0.56
ACE P12821 1/20 0.56
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
PTPN1 P18031 1/20 0.51
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
CTSS P25774 7/20 0.48
CTSK P43235 6/20 0.48
CTSB P07858 2/20 0.48
FPR2 P25090 1/20 0.48
PPARD Q03181 2/20 0.47

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
SCHEMBL28502892 0.91 ACE (0.54) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL2675545 0.90 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL3814635 0.90 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL29726545 0.90 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL21639310 0.89 ACE (0.59) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL21639309 0.89 ACE (0.59) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL28921935 0.88 GRB2 (0.52) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL18918277 0.88 GRB2 (0.52) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL15432845 0.88 GRB2 (0.52) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL16448094 0.87 PTPN1 (0.57) ITGA4ITGB7ACEITGB3ITGA2B

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
EP-2872157-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2020-01-22 EP disclosed
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2017-06-08 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-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ITGA4 718/4885ITGB7 343/4885ACE 4787/4885

“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.