SCHEMBL6002440

SCHEMBL6002440

CCC(C(=O)O)c1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.59
NR4A2 P43354 10/20 0.50
PTGS1 P23219 3/20 0.46
RXRA P19793 1/20 0.46
NR4A1 P22736 2/20 0.42
NR4A3 Q92570 2/20 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
SCHEMBL9029716 0.91 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6002048 0.90 PTGS2 (0.50) PTGS2NR4A2PTGS1RXRA
SCHEMBL6002489 0.90 PTGS2 (0.50) PTGS2NR4A2PTGS1RXRA
SCHEMBL9455544 0.89 NR4A2 (0.60) PTGS2NR4A2PTGS1RXRANR4A1
SCHEMBL6000535 0.85 PTGS2 (0.63) PTGS2NR4A2PTGS1RXRA
SCHEMBL5089153 0.83 PTGS2 (0.55) PTGS2NR4A2PTGS1
SCHEMBL9024861 0.82 PTGS2 (0.66) PTGS2NR4A2PTGS1RXRA
SCHEMBL7498544 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7498729 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6002492 0.80 NR4A2 (0.80) PTGS2NR4A2PTGS1RXRANR4A1

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-20060229347-A1 Treatment of eczemas ASTION DEVELOPMENT A/S 2006-10-12 US claimed
US-20060229347-A1 Treatment of eczemas ASTION DEVELOPMENT A/S 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 (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-20060229347-A1 Treatment of eczemas ZAP70, SYK, LCK PTGS2 792/4885NR4A2 1164/4885PTGS1 745/4885

“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.