SCHEMBL6695960

SCHEMBL6695960

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.38
PTPN2 P17706 6/20 0.38
ALDH1A1 P00352 2/20 0.38
CTSS P25774 6/20 0.36
CTSC P53634 3/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CTSK P43235 1/20 0.36
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL6632738 1.00 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCTSC
SCHEMBL6630202 1.00 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCTSC
SCHEMBL6695966 1.00 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCTSC
SCHEMBL6702107 1.00 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCTSC
SCHEMBL6702111 1.00 PTPN1 (0.38) PTPN1PTPN2ALDH1A1CTSSCTSC
SCHEMBL5946157 0.93 ALDH1A1 (0.39) PTPN1PTPN2ALDH1A1CTSCHPGD
Hydrochloric Acid SCHEMBL5946155 0.92 ALDH1A1 (0.39) PTPN1PTPN2ALDH1A1CTSCHPGD
Hydrochloric Acid SCHEMBL5946151 0.92 ALDH1A1 (0.39) PTPN1PTPN2ALDH1A1CTSCHPGD
Hydrochloric Acid SCHEMBL5946146 0.92 ALDH1A1 (0.39) PTPN1PTPN2ALDH1A1CTSCHPGD
SCHEMBL6468744 0.92 ALDH1A1 (0.39) PTPN1PTPN2ALDH1A1CTSSCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE PTPN1 2698/4885PTPN2 2893/4885ALDH1A1 4046/4885

“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.