SCHEMBL13536734

SCHEMBL13536734

Cc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.63
ITGA2B P08514 8/20 0.63
CTSL P07711 3/20 0.62
CTSK P43235 3/20 0.62
CTSB P07858 2/20 0.62
CTSS P25774 2/20 0.62
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
TACR1 P25103 2/20 0.60
ITGAV P06756 1/20 0.57

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
SCHEMBL30427977 1.00 ITGB3 (0.63) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL220648 0.92 TACR1 (0.68) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL219151 0.92 TACR1 (0.68) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL479010 0.92 TACR1 (0.68) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL7372270 0.92 TACR1 (0.68) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL26661077 0.92 TACR1 (0.68) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL13536737 0.91 ATM (0.67) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL5391083 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL221300 0.89 ECE1 (0.65) ITGB3ITGA2BCTSLCTSKCTSB
SCHEMBL1702159 0.89 ECE1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ITGB3 3707/4885ITGA2B 4108/4885CTSL 179/4885

“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.