SCHEMBL6000535

SCHEMBL6000535

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.63
NR4A2 P43354 8/20 0.49
PTGS1 P23219 3/20 0.49
RXRA P19793 1/20 0.49
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL5732860 0.91 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5732399 0.91 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6002469 0.89 PTGS2 (0.50) PTGS2NR4A2PTGS1RXRALMNA
SCHEMBL5823861 0.89 PTGS2 (0.50) PTGS2NR4A2PTGS1RXRALMNA
SCHEMBL1534075 0.88 NR4A2 (0.59) PTGS2NR4A2PTGS1RXRAKDM4E
SCHEMBL9024861 0.88 PTGS2 (0.66) PTGS2NR4A2PTGS1RXRA
SCHEMBL6002440 0.85 PTGS2 (0.59) PTGS2NR4A2PTGS1RXRA
SCHEMBL9428091 0.85 NR4A2 (0.53) PTGS2NR4A2PTGS1RXRAKDM4E
SCHEMBL7498544 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7498729 0.84 PTGS2 (0.67) PTGS2PTGS1

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.