SCHEMBL6002182

SCHEMBL6002182

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.41
PTGS1 P23219 1/20 0.41
ADAMTS4 O75173 4/20 0.38
DRD1 P21728 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CTSA P10619 2/20 0.36
MMP13 P45452 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
SCHEMBL6002014 0.91 CA12 (0.48) PTGS2PTGS1ADAMTS4DRD1CA12
SCHEMBL6002011 0.88 PTGS2 (0.40) PTGS2PTGS1DRD1CTSA
SCHEMBL6002480 0.83 PTGS2 (0.44) PTGS2PTGS1DRD1CA12CA1
SCHEMBL5732159 0.83 PTGS2 (0.46) PTGS2PTGS1DRD1CA12CA1
SCHEMBL5732590 0.82 PTGS2 (0.44) PTGS2PTGS1DRD1CTSA
SCHEMBL5732775 0.81 PTGS2 (0.42) PTGS2PTGS1DRD1CTSA
SCHEMBL6002495 0.80 PTGS2 (0.41) PTGS2PTGS1DRD1CTSA
SCHEMBL6002042 0.80 CA1 (0.44) PTGS2PTGS1DRD1CA12CA1
SCHEMBL6000520 0.74 CA1 (0.52) PTGS2PTGS1ADAMTS4DRD1CA12
SCHEMBL8559048 0.74 PTGS2 (0.43) PTGS2PTGS1CTSA

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 745/4885ADAMTS4 805/4885

“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.