SCHEMBL6403659

SCHEMBL6403659

CCSc1ccc(CC(=O)O)cc1.CCSc1ccc(CC(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A4 P31645 2/20 0.45
MAOA P21397 1/20 0.45
CAMK2A Q9UQM7 1/20 0.44
AKR1B1 P15121 1/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5350614 0.93 CA2 (0.53) CA2ALDH1A1SLC6A4MAOA
SCHEMBL1403717 0.91 ALDH1A1 (0.53) CA2ALDH1A1HPGDHSD17B10SLC6A4
SCHEMBL23582819 0.82 CA2 (0.67) CA2ALDH1A1HPGDHSD17B10CAMK2A
SCHEMBL2651928 0.77 ALDH1A1 (0.55) CA2ALDH1A1HPGDHSD17B10MAOA
SCHEMBL11004878 0.77 SLC6A4 (0.47) ALDH1A1HPGDHSD17B10SLC6A4MAOA
SCHEMBL11690462 0.77 CA2 (0.52) CA2ALDH1A1HPGDHSD17B10CAMK2A
SCHEMBL11479383 0.77 AKR1C3 (0.57) CA2ALDH1A1HPGDHSD17B10CAMK2A
SCHEMBL11007196 0.75 SLC6A4 (0.46) ALDH1A1HPGDHSD17B10SLC6A4MAOA
SCHEMBL3490695 0.74 CA2 (0.57) CA2SLC6A4MAOA
SCHEMBL670933 0.74 PKM (0.51) CA2ALDH1A1HPGDHSD17B10CAMK2A

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-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 CA2 852/4885ALDH1A1 1730/4885HPGD 1153/4885

“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.