SCHEMBL16248186

SCHEMBL16248186

CC(C)c1nc(C#N)c(Cl)cc1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.40
ALOX15 P16050 2/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
USP8 P40818 2/20 0.33
USP7 Q93009 2/20 0.33
GLP1R P43220 2/20 0.32
ERBB2 P04626 1/20 0.31
MAPT P10636 2/20 0.31
USP47 Q96K76 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AGTR1 P30556 1/20 0.30

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
SCHEMBL17703497 0.77 S100A9 (0.43) S100A9ALOX15ALOX12HTTLMNA
SCHEMBL16248178 0.73 ALOX15 (0.36) ALOX15ALOX12LMNAGLP1RMAPT
SCHEMBL20365914 0.70 MAPT (0.41) HTTLMNAUSP8USP7ERBB2
SCHEMBL16248169 0.68 GLP1R (0.55) S100A9GLP1R
SCHEMBL25842241 0.67 GAA (0.46) LMNAHPGDHSD17B10
SCHEMBL17947393 0.64 ALDH1A1 (0.41) HTTLMNAERBB2MAPTHPGD
SCHEMBL15481082 0.64 HPGDS (0.38) S100A9HTTLMNA
SCHEMBL26137564 0.63 CXCR2 (0.32) MAPTAGTR1
SCHEMBL16248173 0.62 GABRA1 (0.35) ALOX15ALOX12LMNAGLP1R
SCHEMBL15643306 0.62 KDM4E (0.37) S100A9ALOX15ALOX12USP8USP7

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 S100A9 1/4885ALOX15 2355/4885ALOX12 2494/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B S100A9 1/4885ALOX15 1789/4885ALOX12 1818/4885

“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.