SCHEMBL15916682

SCHEMBL15916682

O=S1(=O)CCCCN1c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
OPRK1 P41145 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 1/20 0.43
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.38
HTR1A P08908 1/20 0.35
ADRA1B P35368 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL15915546 0.95 ALOX5AP (0.41) CA1CA2CA6OPRK1CA7
SCHEMBL2523882 0.77 POLB (0.41) CA1CA2CA6OPRK1CA7
SCHEMBL12215806 0.76 NCF1 (0.47) CA1CA2CA6OPRK1CA7
Hydrochloric Acid SCHEMBL2525980 0.74 NCF1 (0.46) CA1CA2CA6OPRK1CA7
SCHEMBL17844353 0.74 POLB (0.64) CA1CA2CA6OPRK1CA7
SCHEMBL20752121 0.74 ALOX5AP (0.50) POLBALOX5APFEN1MGLLTP53
SCHEMBL29190662 0.74 ALOX5AP (0.47) CA1CA2CA6OPRK1CA7
SCHEMBL31195399 0.71 CA1 (0.61) CA1CA2CA6OPRK1CA7
SCHEMBL29117058 0.71 LMNA (0.43) CA1CA2CA6OPRK1CA7
SCHEMBL22041218 0.70 FAAH (0.44) POLBALOX5APFEN1MAPTMGLL

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 CA1 3447/4885CA2 4418/4885CA6 2900/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA1 3615/4885CA2 4111/4885CA6 2541/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA1 3615/4885CA2 4111/4885CA6 2541/4885

“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.