SCHEMBL3406883

SCHEMBL3406883

O=S(=O)(NCC1CC1)c1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.60
MAPT P10636 2/20 0.55
RECQL P46063 1/20 0.51
POLB P06746 1/20 0.50
NPY1R P25929 6/20 0.49
NPY5R Q15761 6/20 0.49
PARG Q86W56 1/20 0.49
ALDH1A1 P00352 2/20 0.47
ADRA2A P08913 1/20 0.47
HPGD P15428 1/20 0.47
AQP1 P29972 1/20 0.47
NPY2R P49146 1/20 0.47
NPY4R P50391 1/20 0.47
MCHR1 Q99705 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
PKM P14618 1/20 0.47
PLCG1 P19174 1/20 0.46
DRD2 P14416 1/20 0.45

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
SCHEMBL15916076 0.94 MAPT (0.56) GBA1MAPTRECQLPOLBNPY1R
SCHEMBL14606680 0.93 GBA1 (0.53) GBA1MAPTRECQLPOLBNPY1R
SCHEMBL7702998 0.92 MAPT (0.59) GBA1MAPTRECQLPOLBNPY1R
SCHEMBL13797033 0.87 GBA1 (0.47) GBA1MAPTRECQLPOLBNPY1R
SCHEMBL15916929 0.86 POLB (0.50) GBA1MAPTRECQLPOLBNPY1R
SCHEMBL15915504 0.80 CTSL (0.44) GBA1MAPTRECQLPOLBALDH1A1
SCHEMBL13796884 0.78 NPY5R (0.61) MAPTNPY1RNPY5RALDH1A1ADRA2A
SCHEMBL7263663 0.78 GBA1 (0.57) GBA1MAPTNPY1RNPY5RPARG
SCHEMBL6024330 0.76 CA12 (0.66) GBA1POLBNPY1RNPY5RALDH1A1
SCHEMBL28885334 0.76 KMT2A (0.68) MAPTRECQLPOLBALDH1A1NSD2

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 25 patents — showing the first 20. 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-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-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US 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
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 US 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
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 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-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R GBA1 3595/4885MAPT 4867/4885RECQL 254/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R GBA1 3595/4885MAPT 4867/4885RECQL 254/4885

“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.