SCHEMBL17367681

SCHEMBL17367681

C[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 1/20 0.55
EPHX2 P34913 1/20 0.50
ATAD2 Q6PL18 7/20 0.48
CECR2 Q9BXF3 7/20 0.48
BRD4 O60885 3/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CCR1 P32246 2/20 0.46

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
SCHEMBL17367679 1.00 TSHR (0.55) TSHRLMNAHTTMAPK1HPGD
SCHEMBL17367674 0.91 TSHR (0.58) TSHRLMNAHTTEPHX2ATAD2
SCHEMBL17367675 0.91 LMNA (0.65) TSHRLMNAHTTMAPK1HPGD
SCHEMBL17014215 0.83 CCR1 (0.58) TSHRLMNAHTTMAPK1HPGD
SCHEMBL15916783 0.82 EPHX2 (0.50) TSHRLMNAHTTMAPK1HPGD
SCHEMBL15916137 0.82 EPHX2 (0.53) TSHRLMNAHTTMAPK1HPGD
SCHEMBL15915662 0.82 EPHX2 (0.50) TSHRLMNAHTTMAPK1HPGD
SCHEMBL2061899 0.82 POLB (0.47) TSHRLMNAHTTMAPK1HPGD
SCHEMBL15915846 0.82 EPHX2 (0.53) TSHRLMNAHTTMAPK1HPGD
SCHEMBL15915660 0.82 EPHX2 (0.50) TSHRLMNAHTTMAPK1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2884/4885LMNA 3880/4885HTT 4842/4885

“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.