SCHEMBL4750360

SCHEMBL4750360

O=S(=O)(NCc1cnn[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.48
PROKR1 Q8TCW9 8/20 0.48
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP1 P03956 2/20 0.41
EPHX2 P34913 3/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2J2 P51589 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.36
MAPK14 Q16539 1/20 0.36
ACLY P53396 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5020187 0.78 FPR2 (0.49) FPR2PROKR1MMP12MMP13MMP1
SCHEMBL4789741 0.74 DRD2 (0.43) KMT2A
SCHEMBL4752293 0.71 FPR2 (0.57) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL8777604 0.68 FPR2 (0.48) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL4752287 0.68 FPR2 (0.48) FPR2PROKR1MMP12MMP13MMP1
SCHEMBL5020189 0.67 FPR2 (0.52) FPR2PROKR1
SCHEMBL3088605 0.66 CYP3A4 (0.48) MAPTSMN1; SMN2CYP2C9MEN1LMNA
SCHEMBL4753032 0.66 FPR2 (0.47) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL14581927 0.66 FPR2 (0.45) FPR2PROKR1MMP12MMP13MAPT
SCHEMBL8096415 0.66 MMP12 (0.45) FPR2PROKR1MMP12MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 WO claimed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 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 (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-20140121248-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.