SCHEMBL20235196

SCHEMBL20235196

CCc1ncc(C(C)CO)cc1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.41
ABCB11 O95342 1/20 0.33
ALOX15 P16050 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL19788233 0.84 GABRA1 (0.38) ALOX15USP2ALDH1A1GAAPKM
SCHEMBL17703485 0.79 S100A9 (0.43) S100A9ABCB11ALDH1A1HPGDHSD17B10
SCHEMBL16248198 0.77 S100A9 (0.42) S100A9ABCB11ALOX15ALDH1A1HPGD
SCHEMBL13933049 0.71 TRPA1 (0.37)
SCHEMBL24925495 0.70 KDM4E (0.40) ALDH1A1GAAHPGD
SCHEMBL19819833 0.68 S100A9 (0.46) S100A9ABCB11ALDH1A1
SCHEMBL6673904 0.65 ABCB11 (0.47) ABCB11ALOX15USP2ALDH1A1GAA
SCHEMBL20888047 0.64 NUDT1 (0.35) ALDH1A1HPGD
SCHEMBL18266295 0.64 NOS3 (0.35)
SCHEMBL12806682 0.64 AGBL2 (0.50) ALDH1A1GAA

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 S100A9 1/4885ABCB11 3937/4885ALOX15 2355/4885

“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.