SCHEMBL7714337

SCHEMBL7714337

COc1ccc(-c2ccccc2)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.55
ACE P12821 2/20 0.53
PTPN1 P18031 3/20 0.52
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSS P25774 5/20 0.46
CTSK P43235 5/20 0.46
CTSB P07858 1/20 0.44
PPARD Q03181 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL12568266 0.87 PTPN1 (0.55) SCN9AACEPTPN1PPARAPPARG
SCHEMBL6170513 0.85 ACE (0.57) SCN9AACEPTPN1PPARAPPARG
SCHEMBL503474 0.85 ACE (0.57) SCN9AACEPTPN1PPARAPPARG
SCHEMBL1310039 0.83 PTPN1 (0.53) SCN9AACEPTPN1PPARAPPARG
SCHEMBL8650372 0.83 SCN9A (0.52) SCN9AACEPTPN1PPARAPPARG
SCHEMBL16448036 0.83 PPARA (0.52) SCN9AACEPTPN1PPARAPPARG
SCHEMBL8650368 0.83 SCN9A (0.52) SCN9AACEPTPN1PPARAPPARG
SCHEMBL16448238 0.82 PTPN1 (0.55) SCN9AACEPTPN1PPARAPPARG
SCHEMBL28956926 0.80 PTPN1 (0.54) SCN9AACEPTPN1PPARAPPARG
SCHEMBL3925164 0.80 ACE (0.55) SCN9AACEPTPN1PPARAPPARG

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-6455539-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATORY AGENTS CELLTECH R&D LIMITED (GB) 2002-09-24 US disclosed
US-20010020017-A1 Squaric acid derivatives CELLTECH R&D LIMITED (GB) 2001-09-06 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-20010020017-A1 Squaric acid derivatives SUCNR1, HCAR1, CCR1 SCN9A 1353/4885ACE 2696/4885PTPN1 783/4885

“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.