SCHEMBL15915643

SCHEMBL15915643

CCCS(=O)(=O)Nc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.48
PSIP1 O75475 1/20 0.47
KCNA5 P22460 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGES2 Q9H7Z7 3/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 2/20 0.41
KMT2A Q03164 2/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1290833 0.87 PSIP1 (0.61) PARP14PSIP1KCNA5PTGS1PTGES2
SCHEMBL9902296 0.87 KDM4E (0.49) KDM4EHPGD
SCHEMBL1494445 0.83 CYP3A4 (0.55) PARP14PSIP1KCNA5CYP3A4CYP2C9
SCHEMBL6524486 0.83 BRAF (0.45) PARP14PSIP1KCNA5PTGS1PTGES2
SCHEMBL10192207 0.80 TP53 (0.51) PARP14PSIP1KCNA5PTGS1CYP3A4
SCHEMBL28215783 0.80 PARP14 (0.52) PARP14PSIP1KCNA5PTGS1PTGES2
SCHEMBL12459797 0.79 PSIP1 (0.77) PARP14PSIP1KCNA5PTGS1CYP3A4
SCHEMBL4374176 0.78 ALOX5AP (0.53) PARP14PSIP1KCNA5PTGS1PTGES2
SCHEMBL15916817 0.77 PTGES2 (0.49) PSIP1PTGES2MAPTTP53KMT2A
SCHEMBL3059170 0.76 PARP14 (0.46) PARP14PSIP1KCNA5PTGS1PTGES2

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 15 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-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
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
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-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-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 PARP14 241/4885PSIP1 4583/4885KCNA5 4144/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R PARP14 233/4885PSIP1 4598/4885KCNA5 4195/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R PARP14 233/4885PSIP1 4598/4885KCNA5 4195/4885

“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.