SCHEMBL6070071

SCHEMBL6070071

NC(=O)C(Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.52
HPGDS O60760 4/20 0.46
CTSB P07858 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
FCER2 P06734 2/20 0.44
MMP1 P03956 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL6070379 1.00 CAPN1 (0.52) CAPN1HPGDSCTSBFPR3FPR2
SCHEMBL7765729 1.00 CAPN1 (0.52) CAPN1HPGDSCTSBFPR3FPR2
SCHEMBL7765736 1.00 CAPN1 (0.52) CAPN1HPGDSCTSBFPR3FPR2
SCHEMBL6070174 0.89 ACE (0.45) CAPN1
SCHEMBL7761900 0.84 CAPN1 (0.59) CAPN1CTSBFCER2MMP1
SCHEMBL7209524 0.84 CAPN1 (0.59) CAPN1FCER2MMP1
SCHEMBL7209529 0.84 CAPN1 (0.59) CAPN1FCER2MMP1
SCHEMBL7759040 0.83 CPB2 (0.46)
SCHEMBL7762727 0.83 FCER2 (0.56) CAPN1FCER2MMP1
SCHEMBL8344939 0.83 FCER2 (0.56) CAPN1FCER2MMP1

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
US-7056947-B2 For inhibiting (cysteine) proteases/caspases; for treatment of viral infections, stroke, neurodegenerative disease, and inflammatory diseases GEORGIA TECH RESEARCH CORP. (US) 2006-06-06 US disclosed
US-20040048327-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-11 US disclosed
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 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-20040048327-A1 Aza-peptide epoxides ANPEP, ENPEP, TMPRSS15 CAPN1 431/4885HPGDS 123/4885CTSB 35/4885

“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.