SCHEMBL4871090

SCHEMBL4871090

C/C(=C\c1cccc(S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.58
AKR1C2 P52895 3/20 0.53
PTGS2 P35354 4/20 0.47
AKR1C1 Q04828 2/20 0.44
TBXAS1 P24557 1/20 0.43
SLC9A1 P19634 1/20 0.43
SLC9A3 P48764 1/20 0.43
SLC9A2 Q9UBY0 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
SCHEMBL4871097 1.00 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2AKR1C1TBXAS1
SCHEMBL397247 0.86 AKR1C3 (0.56) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL397248 0.86 AKR1C3 (0.56) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL396069 0.83 AKR1C3 (0.53) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL398495 0.83 AKR1C3 (0.53) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL396068 0.83 AKR1C3 (0.53) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL398494 0.83 AKR1C3 (0.53) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL8746676 0.82 AKR1C3 (0.76) AKR1C3TBXAS1SLC9A1SLC9A3SLC9A2
SCHEMBL8746678 0.82 AKR1C3 (0.76) AKR1C3TBXAS1SLC9A1SLC9A3SLC9A2
SCHEMBL394850 0.80 ALDH1A1 (0.54) AKR1C3TBXAS1

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-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (2 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AKR1C3 2388/4885AKR1C2 3128/4885PTGS2 3826/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AKR1C3 1559/4885AKR1C2 1362/4885PTGS2 1297/4885

“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.