SCHEMBL16248223

SCHEMBL16248223

CC(C)c1cnc(Oc2ccccc2)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
PTGS1 P23219 1/20 0.36
LTA4H P09960 2/20 0.35
RHEB Q15382 1/20 0.35
TRPA1 O75762 1/20 0.35
POLB P06746 2/20 0.35
P2RX4 Q99571 1/20 0.35
PTPN1 P18031 1/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIN1 Q13526 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2703112 0.79 KAT2B (0.41) LTA4HTRPA1POLBLMNAHTT
SCHEMBL799117 0.77 MAPT (0.39) PTGS1LTA4HLMNAHTTMAPT
SCHEMBL16248217 0.76 CRHR1 (0.35) POLBP2RX4MAPTSMN1; SMN2
SCHEMBL21190857 0.76 MAOB (0.43) LTA4HTRPA1POLBLMNAHTT
SCHEMBL16248212 0.75 POLB (0.33) POLBP2RX4
SCHEMBL16248218 0.73 HPGD (0.36) POLBP2RX4LMNASMN1; SMN2TSHR
SCHEMBL25139704 0.70 PTGS1 (0.46) PTGS1LTA4HLMNATSHRTDP1
SCHEMBL2624395 0.70 ACACB (0.48) LTA4HHTTMAPTL3MBTL1CYP1A2
SCHEMBL26137567 0.70 CHRNA7 (0.33) POLBP2RX4PTPN1
SCHEMBL20406250 0.70 PDE10A (0.45) MAPK8PTPN1TDP1

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 MAPK8 2126/4885PTGS1 1453/4885LTA4H 2373/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B MAPK8 1929/4885PTGS1 683/4885LTA4H 2438/4885

“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.