SCHEMBL15919202

SCHEMBL15919202

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.48
MMP9 P14780 2/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
CNR1 P21554 1/20 0.47
NR1H2 P55055 2/20 0.45
SETD7 Q8WTS6 1/20 0.45
GPR119 Q8TDV5 9/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL15919223 1.00 MMP1 (0.48) MMP1MMP9MMP3MMP7CNR1
SCHEMBL15919201 1.00 MMP1 (0.48) MMP1MMP9MMP3MMP7CNR1
SCHEMBL15919232 0.86 MMP1 (0.46) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL15919233 0.86 MMP1 (0.46) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL27727372 0.85 MMP1 (0.56) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL15916184 0.84 CNR1 (0.51) CNR1
SCHEMBL15917207 0.84 CNR1 (0.51) CNR1
SCHEMBL4887123 0.82 ROCK2 (0.51) MMP1MMP9MMP3MMP7CNR1
SCHEMBL4887132 0.82 ROCK2 (0.51) MMP1MMP9MMP3MMP7CNR1
SCHEMBL1467588 0.81 MMP1 (0.51) MMP1MMP9MMP3MMP7NR1H2

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 19 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
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-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-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 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 MMP1 1085/4885MMP9 706/4885MMP3 864/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R MMP1 852/4885MMP9 287/4885MMP3 581/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R MMP1 852/4885MMP9 287/4885MMP3 581/4885

“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.