SCHEMBL13536743

SCHEMBL13536743

COC(=O)C(Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
KYNU Q16719 1/20 0.48
CTSK P43235 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TACR1 P25103 2/20 0.46

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
SCHEMBL12052784 0.83 ITGB3 (0.67) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL1701856 0.83 ITGB3 (0.67) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL19696790 0.83 CTSS (0.52) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL19696952 0.83 CTSS (0.52) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL14638962 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15ITGB3CTSLCTSB
SCHEMBL16224709 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL30688501 0.81 CTSL (0.57) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL5122829 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL13536741 0.81 ALDH1A1 (0.61) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL14623159 0.81 ALDH1A1 (0.61) ALDH1A1ALOX15CTSLCTSBCTSS

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 ALDH1A1 3337/4885ALOX15 3167/4885ITGB3 3707/4885

“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.