SCHEMBL6468744

SCHEMBL6468744

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CTSC P53634 3/20 0.37
PTPN1 P18031 9/20 0.36
PTPN2 P17706 7/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GART P22102 1/20 0.34
METAP2 P50579 2/20 0.34
METAP1 P53582 2/20 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
Hydrochloric Acid SCHEMBL6465933 0.99 ALDH1A1 (0.38) ALDH1A1CTSCPTPN1PTPN2FAAH
SCHEMBL6695960 0.92 PTPN1 (0.38) ALDH1A1CTSCPTPN1PTPN2CTSB
SCHEMBL6702111 0.92 PTPN1 (0.38) ALDH1A1CTSCPTPN1PTPN2CTSB
SCHEMBL6702107 0.92 PTPN1 (0.38) ALDH1A1CTSCPTPN1PTPN2CTSB
SCHEMBL6695966 0.92 PTPN1 (0.38) ALDH1A1CTSCPTPN1PTPN2CTSB
SCHEMBL6630202 0.92 PTPN1 (0.38) ALDH1A1CTSCPTPN1PTPN2CTSB
SCHEMBL6632738 0.92 PTPN1 (0.38) ALDH1A1CTSCPTPN1PTPN2CTSB
SCHEMBL5946157 0.90 ALDH1A1 (0.39) ALDH1A1CTSCPTPN1PTPN2
Hydrochloric Acid SCHEMBL5946146 0.89 ALDH1A1 (0.39) ALDH1A1CTSCPTPN1PTPN2
Hydrochloric Acid SCHEMBL5946155 0.89 ALDH1A1 (0.39) ALDH1A1CTSCPTPN1PTPN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
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 ALDH1A1 3027/4885CTSC 7/4885PTPN1 1888/4885

“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.