SCHEMBL6002480

SCHEMBL6002480

CC(c1ccccc1-c1ccc(S(C)(=O)=O)cc1)C(C(=O)O)c1ncco1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.44
PTGS1 P23219 2/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
DRD1 P21728 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
CTSA P10619 1/20 0.36

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
SCHEMBL6000520 0.90 CA1 (0.52) PTGS2PTGS1CA12CA1CA2
SCHEMBL6002495 0.88 PTGS2 (0.41) PTGS2PTGS1DRD1CTSA
SCHEMBL5732159 0.87 PTGS2 (0.46) PTGS2PTGS1CA12CA1CA2
SCHEMBL6002182 0.83 PTGS2 (0.41) PTGS2PTGS1CA12CA1CA2
SCHEMBL6002011 0.80 PTGS2 (0.40) PTGS2PTGS1DRD1CTSA
SCHEMBL6002022 0.79 CA1 (0.46) PTGS2PTGS1CA12CA1CA2
SCHEMBL5732590 0.77 PTGS2 (0.44) PTGS2PTGS1DRD1CTSA
SCHEMBL5732775 0.76 PTGS2 (0.42) PTGS2PTGS1DRD1CTSA
SCHEMBL5734311 0.76 CA1 (0.49) PTGS2PTGS1CA12CA1CA2
SCHEMBL6002014 0.74 CA12 (0.48) PTGS2PTGS1CA12CA1CA2

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 745/4885CA12 2686/4885

“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.