SCHEMBL6000520

SCHEMBL6000520

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.52
CA2 P00918 13/20 0.52
CA9 Q16790 10/20 0.52
CA12 O43570 9/20 0.52
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
ADAMTS4 O75173 1/20 0.37
CA14 Q9ULX7 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DRD1 P21728 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
SCHEMBL6002480 0.90 PTGS2 (0.44) CA1CA2CA9CA12PTGS2
SCHEMBL6002022 0.88 CA1 (0.46) CA1CA2CA9CA12PTGS2
SCHEMBL5734311 0.86 CA1 (0.49) CA1CA2CA9CA12PTGS2
SCHEMBL6002014 0.84 CA12 (0.48) CA1CA2CA9CA12PTGS2
SCHEMBL6002042 0.80 CA1 (0.44) CA1CA2CA9CA12PTGS2
SCHEMBL5823422 0.80 CA2 (0.48) CA1CA2CA9CA12PTGS2
SCHEMBL6002495 0.78 PTGS2 (0.41) PTGS2PTGS1DRD1CTSA
SCHEMBL5732159 0.77 PTGS2 (0.46) CA1CA2CA9CA12PTGS2
SCHEMBL5732083 0.77 KMT2A (0.41) CA1CA2CA9CA12PTGS2
SCHEMBL5733045 0.75 DRD1 (0.40) CA1CA2CA9CA12PTGS2

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 CA1 3406/4885CA2 1141/4885CA9 3449/4885

“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.