SCHEMBL16248178

SCHEMBL16248178

CC(C)c1nc(Br)c(Cl)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.36
GLP1R P43220 2/20 0.34
TSHR P16473 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
S1PR4 O95977 1/20 0.32
CYP3A4 P08684 2/20 0.31
HSP90AA1 P07900 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL17703496 0.74 HPGD (0.44) ALOX15ALOX12LMNATSHRHSD17B10
SCHEMBL16248186 0.73 S100A9 (0.40) ALOX15ALOX12LMNAGLP1RTSHR
SCHEMBL16248169 0.72 GLP1R (0.55) GLP1R
SCHEMBL31286010 0.67 TYR (0.34) ALOX15ALOX12LMNATSHRHSD17B10
SCHEMBL11000883 0.66 CYP3A4 (0.37) LMNATSHRHSD17B10HPGDS1PR4
SCHEMBL16248177 0.66 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL10874771 0.66 HPGD (0.36) LMNATSHRHSD17B10HPGDCYP3A4
SCHEMBL25879875 0.65 LMNA (0.39) ALOX15ALOX12LMNAHSD17B10HPGD
SCHEMBL16248173 0.65 GABRA1 (0.35) ALOX15ALOX12LMNAGLP1RGABRA1
SCHEMBL16248182 0.65 GABRA1 (0.35) ALOX15ALOX12GABRA1GABRB1

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 ALOX15 2355/4885ALOX12 2494/4885LMNA 691/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B ALOX15 1789/4885ALOX12 1818/4885LMNA 912/4885

“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.