SCHEMBL5020187

SCHEMBL5020187

CC(C)(NS(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)c1cnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 15/20 0.49
PROKR1 Q8TCW9 15/20 0.49
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ACLY P53396 1/20 0.39
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL5020189 0.89 FPR2 (0.52) FPR2PROKR1HRH1CCR3
SCHEMBL8777604 0.88 FPR2 (0.48) FPR2PROKR1MMP12MMP13MAPT
SCHEMBL4752287 0.81 FPR2 (0.48) FPR2PROKR1MMP12MMP13ACLY
SCHEMBL4750360 0.78 FPR2 (0.48) FPR2PROKR1MMP12MMP13ACLY
SCHEMBL5020141 0.76 GPR119 (0.41)
SCHEMBL4753032 0.76 FPR2 (0.47) FPR2PROKR1MMP12MMP13ACLY
SCHEMBL8096418 0.74 FPR2 (0.46) FPR2PROKR1MMP12MMP13ACLY
SCHEMBL4753890 0.71 FPR2 (0.51) FPR2PROKR1HRH1CCR3
SCHEMBL4752293 0.70 FPR2 (0.57) FPR2PROKR1MMP12MMP13ACLY
SCHEMBL4788541 0.69 FPR2 (0.48) FPR2PROKR1MMP12MMP13MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO 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 (4 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-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO FPR2 2862/4885PROKR1 3666/4885MMP12 17/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO FPR2 2862/4885PROKR1 3666/4885MMP12 17/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO FPR2 2862/4885PROKR1 3666/4885MMP12 17/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO FPR2 2862/4885PROKR1 3666/4885MMP12 17/4885

“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.