SCHEMBL943431

SCHEMBL943431

CN1C(=O)N(CC(=O)CSCc2ccccc2)C(=O)C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.45
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 5/20 0.40
ATM Q13315 1/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ELANE P08246 1/20 0.37
GAA P10253 2/20 0.37
AR P10275 1/20 0.37
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 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
Benzenemethanethiol SCHEMBL6808974 0.94 PLA2G7 (0.41) PLA2G7ALDH1A1RAB9AATMCYP2C19
SCHEMBL6808975 0.75 ALDH1A1 (0.36) ALDH1A1RAB9AATMCYP2C19CYP1A2
SCHEMBL4756856 0.74 KMT2A (0.56) PLA2G7ALDH1A1ATMSMN1; SMN2MMP2
SCHEMBL20395222 0.72 CYP2C19 (0.59) ALDH1A1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL942586 0.70 PLA2G7 (0.41) PLA2G7ALDH1A1ATMCYP2C19MMP2
SCHEMBL7507373 0.70 PLA2G7 (0.40) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL940892 0.70 PLA2G7 (0.40) PLA2G7RAB9AMMP2MMP3MMP9
SCHEMBL5935744 0.69 CYP2C19 (0.52) ALDH1A1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL14009878 0.67 PLA2G7 (0.42) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL26447128 0.67 CYP2C19 (0.53) ALDH1A1RAB9ACYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 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 (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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 PLA2G7 289/4885ALDH1A1 612/4885RAB9A 2412/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 PLA2G7 289/4885ALDH1A1 612/4885RAB9A 2412/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 PLA2G7 289/4885ALDH1A1 612/4885RAB9A 2412/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 PLA2G7 776/4885ALDH1A1 1250/4885RAB9A 2385/4885

“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.