SCHEMBL6841100

SCHEMBL6841100

CC1(CSc2ccc(-c3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MMP2 P08253 6/20 0.44
MMP9 P14780 5/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 2/20 0.41
LIPG Q9Y5X9 2/20 0.40
PTGS2 P35354 1/20 0.40
ADAMTS5 Q9UNA0 3/20 0.39
LIPC P11150 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNA1F O60840 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 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
SCHEMBL12378669 0.86 ALDH1A1 (0.42) ALDH1A1MMP2MMP9LIPGADAMTS5
SCHEMBL12378821 0.83 ADAMTS5 (0.43) ALDH1A1MMP2MMP9MMP3ADAMTS5
SCHEMBL6210406 0.83 ADAMTS5 (0.43) ALDH1A1MMP2ADAMTS5SMN1; SMN2NPSR1
SCHEMBL6879272 0.83 MMP14 (0.38) ALDH1A1MMP2MMP9MMP3MMP8
SCHEMBL7199008 0.83 MMP14 (0.38) ALDH1A1MMP2MMP9MMP3MMP8
SCHEMBL941821 0.80 MMP2 (0.49) MMP2MMP9MMP3MMP8SMN1; SMN2
SCHEMBL14085483 0.75 ALDH1A1 (0.45) ALDH1A1MMP2MMP9MMP3MMP8
SCHEMBL12416702 0.75 ALDH1A1 (0.48) ALDH1A1MMP2MMP9MMP3MMP8
SCHEMBL944078 0.74 ALDH1A1 (0.57) ALDH1A1MMP2MMP9MMP8ADAMTS5
SCHEMBL941900 0.74 ALDH1A1 (0.57) ALDH1A1MMP2MMP9MMP8ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 US disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040106659-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-03 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (3 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT ALDH1A1 1419/4885MMP2 1337/4885MMP9 1850/4885
US-20040106659-A1 Metalloproteinase inhibitors MMP9, TIMP3, MMP11 ALDH1A1 712/4885MMP2 9/4885MMP9 1/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885MMP2 11/4885MMP9 8/4885

“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.