SCHEMBL6002014

SCHEMBL6002014

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.48
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 7/20 0.48
ADAMTS4 O75173 5/20 0.39
CA4 P22748 4/20 0.36
DRD1 P21728 1/20 0.36
PTGS2 P35354 4/20 0.35
CTSA P10619 3/20 0.35
MMP13 P45452 1/20 0.35
PTGS1 P23219 2/20 0.35

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
SCHEMBL6002182 0.91 PTGS2 (0.41) CA12CA1CA2CA9ADAMTS4
SCHEMBL6002042 0.89 CA1 (0.44) CA12CA1CA2CA9CA4
SCHEMBL6000520 0.84 CA1 (0.52) CA12CA1CA2CA9ADAMTS4
SCHEMBL5734311 0.82 CA1 (0.49) CA12CA1CA2CA9DRD1
SCHEMBL5732083 0.82 KMT2A (0.41) CA12CA1CA2CA9DRD1
SCHEMBL6002022 0.80 CA1 (0.46) CA12CA1CA2CA9DRD1
SCHEMBL5733045 0.80 DRD1 (0.40) CA12CA1CA2CA9DRD1
SCHEMBL6002011 0.80 PTGS2 (0.40) DRD1PTGS2CTSAPTGS1
SCHEMBL5823422 0.77 CA2 (0.48) CA12CA1CA2CA9DRD1
SCHEMBL8552551 0.74 CA2 (0.44) CA12CA1CA2CA9DRD1

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 CA12 2686/4885CA1 3406/4885CA2 1141/4885

“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.