SCHEMBL15917236

SCHEMBL15917236

O=S(=O)(c1ccccc1Br)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EPHX2 P34913 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL15916754 0.98 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15916530 0.98 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29973515 0.96 TSHR (0.66) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15917114 0.84 USP2 (0.51) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15914906 0.84 ALDH1A1 (0.52) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL30754609 0.84 USP2 (0.51) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15924957 0.84 TSHR (0.51) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3087652 0.84 POLB (0.59) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL20627051 0.84 POLB (0.53) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15915440 0.82 TSHR (0.49) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2

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 13 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-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-04-19 US disclosed
EP-3286178-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-02-28 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
WO-2016170009-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2016-10-27 WO 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 (4 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-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN1B TSHR 4071/4885CYP3A4 2632/4885CYP2C9 2158/4885
US-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R TSHR 2884/4885CYP3A4 191/4885CYP2C9 899/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R TSHR 2461/4885CYP3A4 157/4885CYP2C9 782/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R TSHR 2461/4885CYP3A4 157/4885CYP2C9 782/4885

“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.