SCHEMBL4290241

SCHEMBL4290241

CCCN/C(=N\C#N)C1CNCCC1CC(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.44
MMP2 P08253 7/20 0.40
MMP9 P14780 5/20 0.40
MMP1 P03956 4/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 1/20 0.40
BMP1 P13497 8/20 0.38
MMP14 P50281 3/20 0.38
ADAM17 P78536 2/20 0.38
ADAM10 O14672 1/20 0.38
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL4290245 1.00 MMP13 (0.44) MMP13MMP2MMP9MMP1MMP3
SCHEMBL4293377 0.80 MMP13 (0.49) MMP13MMP2MMP9MMP1MMP3
SCHEMBL4293372 0.80 MMP13 (0.49) MMP13MMP2MMP9MMP1MMP3
SCHEMBL4265260 0.78 ADAMTS7 (0.47) MMP13MMP2MMP9MMP1MMP3
SCHEMBL4265263 0.78 ADAMTS7 (0.47) MMP13MMP2MMP9MMP1MMP3
SCHEMBL3872719 0.76 MMP13 (0.56) MMP13MMP2MMP9MMP1MMP3
SCHEMBL1801225 0.75 BMP1 (0.51) MMP13MMP2MMP9MMP1MMP3
SCHEMBL4371646 0.74 MMP13 (0.58) MMP13MMP2MMP9MMP1MMP3
SCHEMBL3876756 0.74 MMP13 (0.58) MMP13MMP2MMP9MMP1MMP3
SCHEMBL3874462 0.73 MMP13 (0.54) MMP13MMP2MMP9MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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 (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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 MMP13 386/4885MMP2 223/4885MMP9 97/4885

“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.