SCHEMBL20235193

SCHEMBL20235193

CC(C)c1ncc(C(C)Oc2cc(C(=O)O)cnc2C(C)C)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.37
▸ GCK P35557 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALKBH1 Q13686 1/20 0.36
▸ TPMT P51580 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ THRA P10827 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ ANTXR2 P58335 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33

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
SCHEMBL16248203 0.83 KDM4E (0.42) PTGS2MAPTXDHTHRATHRB
SCHEMBL17702572 0.70 KDM4E (0.50) HTTMAPTXDHPOLBCA12
SCHEMBL16248205 0.70 GABRA1 (0.42) HTTMAPTPOLBCA1CA2
SCHEMBL19706324 0.68 HCAR2 (0.44) TPMTKMT2A
SCHEMBL12763742 0.67 HCAR2 (0.43) HTTTPMTMAPTTHRATHRB
SCHEMBL19698928 0.67 HCAR2 (0.43) GCKHTTKMT2A
SCHEMBL8883301 0.64 XDH (0.49) GCKXDHCA12CA1CA2
SCHEMBL11672654 0.64 HTT (0.66) PTGS2HTTTPMTMAPTPOLB
SCHEMBL16248198 0.64 S100A9 (0.42) HTTMAPTCA1CA2CA9
SCHEMBL976853 0.63 XDH (0.48) GCKXDHKDM5AKDM4CKDM5B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 — — 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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 PTGS2 1905/4885GCK 4042/4885HTT 1197/4885

“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.

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