SCHEMBL7046904

SCHEMBL7046904

O=C(N[C@@H](CS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1)C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.45
CTSL P07711 4/20 0.45
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL7591825 0.86 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL7042880 0.86 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL6462892 0.86 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL7043449 0.85 CTSS (0.63) CTSSCTSLCTSBCTSKLMNA
SCHEMBL6630597 0.83 CTSS (0.35) CTSSALDH1A1CYP3A4CYP2C9
SCHEMBL6630590 0.83 CTSS (0.35) CTSSALDH1A1CYP3A4CYP2C9
SCHEMBL6630594 0.83 CTSS (0.35) CTSSALDH1A1CYP3A4CYP2C9
SCHEMBL6468744 0.81 ALDH1A1 (0.39) CTSSCTSBCTSKALDH1A1
Hydrochloric Acid SCHEMBL6465933 0.81 ALDH1A1 (0.38) CTSSCTSBCTSKALDH1A1
SCHEMBL7047846 0.80 LMNA (0.44) CTSSCTSLCTSBALDH1A1LMNA

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.