SCHEMBL6000527

SCHEMBL6000527

CCC(C(=O)O)c1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.48
PTGS1 P23219 16/20 0.48
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CDK2 P24941 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
SCHEMBL6002489 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6002048 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL5732493 0.81 PTGS2 (0.51) PTGS2PTGS1ABCB11ALDH1A1CDK2
SCHEMBL8138588 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8147641 0.77 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL213239 0.77 PTGS2 (0.56) PTGS2PTGS1ABCB11ALDH1A1CDK2
SCHEMBL7501679 0.77 PTGS2 (0.55) PTGS2PTGS1ABCB11ALDH1A1CDK2
SCHEMBL8549849 0.76 PTGS2 (0.57) PTGS2PTGS1ABCB11ALDH1A1CDK2
SCHEMBL9029716 0.76 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6538884 0.75 AKR1C3 (0.47) PTGS2PTGS1ALDH1A1

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 792/4885PTGS1 745/4885ABCB11 3519/4885

“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.