SCHEMBL6840064

SCHEMBL6840064

CN1Cc2cc(C(=O)O)ccc2N(C(C)(C)C)[C@H](CO)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.36
ITGA2B P08514 5/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ITGAV P06756 3/20 0.33
LMNA P02545 1/20 0.33
PARK7 Q99497 1/20 0.33
BRD4 O60885 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NR4A1 P22736 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5155939 0.77 ITGB3 (0.41) ITGB3ITGA2BMAPTHPGDITGAV
SCHEMBL7544674 0.74 ITGB3 (0.39) ITGB3ITGA2BMAPTHPGDITGAV
SCHEMBL7366878 0.74 ITGB3 (0.38) ITGB3ITGA2BMAPTHPGDITGAV
SCHEMBL4024554 0.70 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL6948601 0.66 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6676170 0.66 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL6676168 0.66 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL6948600 0.66 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7798122 0.66 HSD17B3 (0.39) ITGB3ITGA2BMAPTHPGDITGAV
SCHEMBL4024521 0.65 ITGB3 (0.47) ITGB3ITGA2BITGAVBRD4

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-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 ITGB3 1680/4885ITGA2B 1135/4885MAPT 3046/4885

“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.