SCHEMBL2402609

SCHEMBL2402609

CCCCCCCC#Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.59
MMP12 P39900 1/20 0.59
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
MGLL Q99685 1/20 0.47
RARB P10826 3/20 0.45
PTPN11 Q06124 2/20 0.44
TLR8 Q9NR97 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL6939222 0.88 MMP2 (0.57) MMP2MMP12FFAR1FFAR4RARB
SCHEMBL6936308 0.85 MMP2 (0.67) MMP2MMP12FFAR1FFAR4RARB
SCHEMBL6934788 0.83 MMP2 (0.61) MMP2MMP12FFAR1FFAR4PTPN11
SCHEMBL181321 0.83 MMP2 (0.52) MMP2MMP12FFAR1FFAR4MGLL
SCHEMBL20046104 0.83 CYP4A11 (0.56) MMP2MMP12PTPN11PTPN2PTPN1
SCHEMBL7330109 0.82 MMP2 (0.50) MMP2MMP12FFAR1FFAR4MGLL
SCHEMBL1314552 0.81 CYP4A11 (0.55) MMP2MMP12PTPN11PTPN2PTPN1
SCHEMBL7738234 0.80 MMP2 (0.68) MMP2MMP12FFAR1FFAR4
SCHEMBL30143434 0.80 MMP2 (0.72) MMP2MMP12FFAR1FFAR4RARB
SCHEMBL4088517 0.80 MMP2 (0.68) MMP2MMP12FFAR1FFAR4

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
US-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. 2013-09-19 US disclosed
EP-2544702-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
WO-2011112441-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. (US) 2011-09-15 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-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS SPPL2B, ENGASE, PEPD MMP2 872/4885MMP12 323/4885FFAR1 2947/4885

“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.