SCHEMBL15915546

SCHEMBL15915546

O=S1(=O)CCCN1c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
OPRK1 P41145 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.38
UTRN P46939 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
HTR1A P08908 1/20 0.35
ADRA1B P35368 1/20 0.35
GALR1 P47211 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
AKR1C3 P42330 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
SCHEMBL15916682 0.95 CA1 (0.46) ALOX5APFEN1CA1CA2CA6
SCHEMBL20752121 0.79 ALOX5AP (0.50) ALOX5APFEN1MGLLPOLBTP53
SCHEMBL29190662 0.79 ALOX5AP (0.47) ALOX5APFEN1CA1CA2CA6
SCHEMBL14355849 0.75 ADRA2C (0.49) ALOX5APFEN1POLBHTR1AMAPT
SCHEMBL22041218 0.75 FAAH (0.44) ALOX5APFEN1MGLLPOLBUTRN
SCHEMBL21410340 0.73 HTT (0.44) ALOX5APFEN1CA1CA2CA6
SCHEMBL14356048 0.73 ADRB1 (0.49) HTR1AMAPT
SCHEMBL12209941 0.73 POLB (0.57) CA1CA2CA6OPRK1CA7
SCHEMBL2523882 0.71 POLB (0.41) ALOX5APFEN1CA1CA2CA6
SCHEMBL4599264 0.70 CA1 (0.54) CA1CA2CA6OPRK1CA7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
EP-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US 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 (3 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R ALOX5AP 95/4885FEN1 1/4885CA1 3447/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R ALOX5AP 80/4885FEN1 2/4885CA1 3615/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R ALOX5AP 80/4885FEN1 2/4885CA1 3615/4885

“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.