SCHEMBL16248205

SCHEMBL16248205

CC(C)c1cnc(C(C)C)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
TRPA1 O75762 1/20 0.42
PTGS1 P23219 1/20 0.42
CACNA1C Q13936 1/20 0.42
TDP1 Q9NUW8 6/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
TYR P14679 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 2/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 2/20 0.38
MDM4 O15151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL16248198 0.83 S100A9 (0.42) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL12381069 0.80 TRPA1 (0.43) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL4334828 0.80 GABRA1 (0.33) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL24249007 0.78 KDM4E (0.44) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL12197724 0.78 TRPA1 (0.47) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL84409 0.77 ALDH1A1 (0.44) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL16248201 0.77 GABRA1 (0.39) GABRA1GABRB2TDP1MAPTKDM4E
SCHEMBL24595051 0.77 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL16248202 0.77 GABRA1 (0.39) GABRA1GABRB2MAPTALOX12HTT
SCHEMBL12796020 0.76 GABRA1 (0.39) GABRA1GABRB2PTGS1CA1CA2

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 5 patents. 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
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 WO 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 (2 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 GABRA1 2729/4885GABRB2 2988/4885TRPA1 1569/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B GABRA1 2958/4885GABRB2 3137/4885TRPA1 798/4885

“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.