SCHEMBL15917589

SCHEMBL15917589

N#CCCN1CCN(S(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.49
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48

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
SCHEMBL17367677 0.82 KDM4E (0.62) ALDH1A1KMT2AKDM4E
SCHEMBL15915443 0.82 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EHTTALOX5AP
SCHEMBL3087652 0.76 POLB (0.59) TSHRMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL15917017 0.76 EPHX2 (0.52) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL29973515 0.74 TSHR (0.66) TSHRMAPTALDH1A1KMT2AKDM4E
SCHEMBL15917236 0.74 TSHR (0.71) TSHRMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL15914906 0.73 ALDH1A1 (0.52) TSHRALDH1A1LMNAKMT2AKDM4E
SCHEMBL15916530 0.73 TSHR (0.75) TSHRMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL15916754 0.73 TSHR (0.75) TSHRMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL2960619 0.72 MEN1 (0.62) GAAMAPTALDH1A1LMNAKMT2A

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 10 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
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-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 GAA 3237/4885TSHR 2884/4885MAPT 4864/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R GAA 2916/4885TSHR 2461/4885MAPT 4867/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R GAA 2916/4885TSHR 2461/4885MAPT 4867/4885

“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.