SCHEMBL15916754

SCHEMBL15916754

O=S(=O)(c1ccccc1Br)N1CCCCCC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75
HTT P42858 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.57
EPHX2 P34913 1/20 0.57
MAPK1 P28482 2/20 0.55
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
USP2 O75604 1/20 0.52

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
SCHEMBL15916530 1.00 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19HTT
SCHEMBL15917236 0.98 TSHR (0.71) TSHRCYP3A4CYP2C9CYP2C19HTT
SCHEMBL29973515 0.94 TSHR (0.66) TSHRCYP3A4CYP2C9CYP2C19HTT
SCHEMBL15917114 0.82 USP2 (0.51) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15914906 0.82 ALDH1A1 (0.52) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL30754609 0.82 USP2 (0.51) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15924957 0.82 TSHR (0.51) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL3087652 0.82 POLB (0.59) TSHRCYP3A4CYP2C9CYP2C19HTT
SCHEMBL20627051 0.82 POLB (0.53) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15915440 0.81 TSHR (0.49) TSHRCYP3A4CYP2C9CYP2C19HTT

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 24 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-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-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-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

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 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.