SCHEMBL16248188

SCHEMBL16248188

CC(C)c1cncc(Br)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.45
GABRB1 P18505 4/20 0.45
GABRB2 P47870 4/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2B P41595 2/20 0.38
FAAH O00519 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 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
SCHEMBL923211 0.84 GABRA1 (0.52) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL14803522 0.77 GABRA1 (0.45) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL25927959 0.76 GABRA1 (0.32) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL26780057 0.76 GABRA1 (0.39) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL526476 0.75
SCHEMBL16248187 0.74 GABRA1 (0.45) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL19769047 0.74 RPS6KA3 (0.45) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL23319807 0.74 GABRA1 (0.37) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL17703506 0.70
SCHEMBL17485226 0.69 GABRA1 (0.36) GABRA1GABRB1GABRB2CA1CA2

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 2729/4885GABRB1 3064/4885GABRB2 2988/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B GABRA1 2958/4885GABRB1 3211/4885GABRB2 3137/4885

“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.