SCHEMBL18656804

SCHEMBL18656804

CNC(=O)C(CI)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.36
MMP9 P14780 8/20 0.36
MMP8 P22894 6/20 0.36
MMP1 P03956 8/20 0.34
MMP3 P08254 7/20 0.34
MMP13 P45452 3/20 0.34
ADAM17 P78536 6/20 0.33
MMP7 P09237 2/20 0.33
TNF P01375 2/20 0.33
MMP14 P50281 2/20 0.33
MMP20 O60882 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP10 P09238 1/20 0.33
MMP12 P39900 1/20 0.33
MMP15 P51511 1/20 0.33
MMP16 P51512 1/20 0.33
MMP25 Q9NPA2 1/20 0.33
MMP26 Q9NRE1 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MMP24 Q9Y5R2 1/20 0.33

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
SCHEMBL20259542 0.78 USP2 (0.36) MMP2MMP9MMP8MMP1MMP3
SCHEMBL15314107 0.78 USP2 (0.36) MMP2MMP9MMP8MMP1MMP3
SCHEMBL13114608 0.78 USP2 (0.36) MMP2MMP9MMP8MMP1MMP3
SCHEMBL16418389 0.76 MMP1 (0.49) MMP2MMP9MMP8MMP1MMP3
SCHEMBL19156077 0.76 ALDH1A1 (0.46) MMP2MMP9MMP8MMP1MMP3
SCHEMBL24920451 0.76 KISS1R (0.38) MMP2MMP9MMP8MMP1MMP3
SCHEMBL18638424 0.74 CA1 (0.49) MMP2MMP9MMP1MMP3MMP7
SCHEMBL21566764 0.74 ECE1 (0.46) MMP2MMP1MMP3MMP7ECE1
SCHEMBL24655789 0.74 MMP2 (0.37) MMP2MMP9MMP8MMP1MMP3
SCHEMBL13501731 0.74 CA1 (0.49) MMP2MMP9MMP1MMP3MMP7

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-9969710-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-05-15 US disclosed
US-20170081307-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 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-20170081307-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MMP2 3930/4885MMP9 3624/4885MMP8 3174/4885

“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.