SCHEMBL15916232

SCHEMBL15916232

NCC1(S(=O)(=O)c2ccccc2Br)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
PLCG1 P19174 1/20 0.44
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
LOX P28300 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
DPP4 P27487 1/20 0.36
HTR6 P50406 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 2/20 0.33

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
SCHEMBL3406334 0.76 GAA (0.58) CA1CA2CA4CA6ITGB1
SCHEMBL15916500 0.73 ITGB1 (0.53) CA1CA2CA4CA6PLCG1
SCHEMBL15916059 0.71 ALOX5AP (0.45) CA1CA2CA4CA6PLCG1
SCHEMBL3406778 0.67 KMT2A (0.61) CA1CA2CA6ITGB1ITGA4
SCHEMBL30630011 0.66 CA2 (1.00) CA1CA2CA4CA6PLCG1
SCHEMBL344271 0.66 CA2 (1.00) CA1CA2CA4CA6PLCG1
SCHEMBL17367680 0.65 RECQL (0.47) CA1CA2CA4CA6PLCG1
SCHEMBL15916416 0.65 MAPT (0.47) CA1CA2CA4CA6PLCG1
SCHEMBL10415325 0.64 CA2 (0.95) CA1CA2CA4CA6PLCG1
Potassium SCHEMBL10415326 0.64 CA2 (0.95) CA1CA2CA4CA6PLCG1

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 CA1 3447/4885CA2 4418/4885CA4 3102/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA1 3615/4885CA2 4111/4885CA4 2675/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA1 3615/4885CA2 4111/4885CA4 2675/4885

“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.