SCHEMBL9939614

SCHEMBL9939614

COC(=O)c1cnc(CCc2ccccc2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 1.00
MMP9 P14780 1/20 0.59
MMP13 P45452 1/20 0.59
DAO P14920 1/20 0.54
BRS3 P32247 10/20 0.51
PDE10A Q9Y233 1/20 0.50
FAAH O00519 2/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CES1 P23141 1/20 0.43
RNASEH1 O60930 1/20 0.43

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
SCHEMBL9938772 0.83 MMP2 (0.71) MMP2MMP9MMP13DAOBRS3
Hydrochloric Acid SCHEMBL10695618 0.83 MMP2 (0.70) MMP2MMP9MMP13DAOBRS3
SCHEMBL14744177 0.80 MMP2 (0.67) MMP2MMP9MMP13BRS3GAA
SCHEMBL8653203 0.80 MMP2 (0.67) MMP2MMP9MMP13BRS3MEN1
Hydrochloric Acid SCHEMBL14744176 0.79 MMP2 (0.65) MMP2MMP9MMP13BRS3GAA
SCHEMBL20630812 0.79 MMP2 (0.64) MMP2MMP9MMP13RNASEH1
SCHEMBL7424608 0.77 MMP2 (0.61) MMP2GAA
SCHEMBL5903845 0.76 MMP2 (0.61) MMP2MMP9MMP13DAOBRS3
SCHEMBL20630811 0.75 MMP2 (0.60) MMP2GAA
SCHEMBL4605593 0.75 MMP2 (0.60) MMP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651413-B1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT (HU) 2017-11-22 EP disclosed
EP-2651413-B1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT (HU) 2017-11-22 EP disclosed
US-9487462-B2 Inhibitors of matrix metalloproteinases PHARMAHUNGARY 2000 KFT. (HU) 2016-11-08 US disclosed
US-9487462-B2 Inhibitors of matrix metalloproteinases PHARMAHUNGARY 2000 KFT. (HU) 2016-11-08 US disclosed
CN-103347516-B matrix metalloproteinase inhibitors Hungary Pharmaceutical 2000 Ltd. (HU) 2015-10-14 CN disclosed
US-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TARGETEX KFT. (HU) 2013-11-14 US disclosed
US-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TARGETEX KFT. (HU) 2013-11-14 US disclosed
EP-2651413-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES Pharmahungary 2000 Kft. (HU) 2013-10-23 EP disclosed
CN-103347516-A Novel matrix metalloproteinase inhibitors PHARMAHUNGARY 2000 KFT 2013-10-09 CN disclosed
WO-2012080762-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT. (HU) 2012-06-21 WO disclosed
WO-2012080762-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT. (HU) 2012-06-21 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-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TIMP3, MMP3, MMP13 MMP2 6/4885MMP9 5/4885MMP13 3/4885

“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.