SCHEMBL10076277

SCHEMBL10076277

O=C(O)c1csc(CCCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.59
MMP13 P45452 3/20 0.59
MMP2 P08253 2/20 0.59
MMP9 P14780 2/20 0.59
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
LIPG Q9Y5X9 1/20 0.47
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FFAR1 O14842 1/20 0.44
HPGDS O60760 1/20 0.44

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
SCHEMBL12548449 0.79 PLA2G4A (0.59) MMP1MMP13MMP2MMP9HDAC1
SCHEMBL5725599 0.77 MMP2 (0.53) MMP1MMP13MMP2MMP9HDAC1
SCHEMBL11959465 0.76 MMP1 (0.54) MMP1MMP13MMP2MMP9HDAC1
SCHEMBL26319518 0.76 ALDH1A1 (0.73) HDAC1HDAC8HDAC6PTPN1ALDH1A1
SCHEMBL10277057 0.76 MMP1 (0.49) MMP1MMP13MMP2MMP9HDAC1
SCHEMBL3568125 0.75 MAPT (0.56) MMP1MMP13MMP2MMP9HPGDS
SCHEMBL12850172 0.75 MMP13 (0.67) MMP1MMP13MMP2MMP9HDAC1
SCHEMBL10076594 0.75 MMP13 (1.00) MMP1MMP13MMP2MMP9
SCHEMBL1246008 0.74 PLA2G4A (0.55) MMP1MMP13MMP2MMP9ALDH1A1
SCHEMBL1977126 0.74 HDAC1 (0.72) MMP1MMP13MMP2MMP9HDAC1

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 6 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
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
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
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 MMP1 4/4885MMP13 3/4885MMP2 6/4885

“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.