SCHEMBL13536744

SCHEMBL13536744

Cc1cccc(CC(NC(=O)OCc2ccccc2)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.62
CTSL P07711 3/20 0.62
CTSS P25774 3/20 0.62
POLB P06746 1/20 0.61
ITGB3 P05106 6/20 0.58
ITGAV P06756 1/20 0.58
CTSB P07858 2/20 0.56
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
ITGA2B P08514 5/20 0.55
TACR1 P25103 3/20 0.54
TYR P14679 1/20 0.53

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
SCHEMBL9829026 0.92 POLB (0.56) CTSKCTSLCTSSPOLBITGB3
SCHEMBL13536740 0.91 POLB (0.63) CTSKCTSLCTSSPOLBCTSB
SCHEMBL30427977 0.87 ITGB3 (0.63) CTSKCTSLCTSSITGB3ITGAV
SCHEMBL13536734 0.87 ITGB3 (0.63) CTSKCTSLCTSSITGB3ITGAV
SCHEMBL9825830 0.87 TYR (0.58) CTSKCTSLCTSSITGB3ITGAV
SCHEMBL5288135 0.87 TYR (0.58) CTSKCTSLCTSSITGB3ITGAV
SCHEMBL479010 0.86 TACR1 (0.68) CTSKCTSLCTSSITGB3CTSB
SCHEMBL26661077 0.86 TACR1 (0.68) CTSKCTSLCTSSITGB3CTSB
SCHEMBL7372270 0.86 TACR1 (0.68) CTSKCTSLCTSSITGB3CTSB
SCHEMBL220648 0.86 TACR1 (0.68) CTSKCTSLCTSSITGB3CTSB

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 CTSK 298/4885CTSL 179/4885CTSS 277/4885

“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.