SCHEMBL1709302

SCHEMBL1709302

CCC(=O)[C@H](CC(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.33
MMP3 P08254 8/20 0.33
MMP2 P08253 8/20 0.33
MMP9 P14780 6/20 0.33
MMP8 P22894 5/20 0.33
MMP13 P45452 3/20 0.33
RNPEP Q9H4A4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ADAM17 P78536 7/20 0.33
MMP7 P09237 2/20 0.33
MMP14 P50281 2/20 0.33
TNF P01375 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

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
SCHEMBL23902123 0.80 RNPEP (0.32) RNPEPSLC7A5
SCHEMBL12015438 0.76 SLC7A5 (0.41) MMP1MMP3MMP2MMP9MMP8
SCHEMBL14276517 0.76 KISS1R (0.39) MMP1MMP3MMP2MMP9MMP8
SCHEMBL12136003 0.76 RNPEP (0.46) RNPEPSLC7A5
SCHEMBL8380546 0.76 TSHR (0.31)
SCHEMBL8380494 0.76 TSHR (0.31)
SCHEMBL1703481 0.74 RNPEP (0.34) MMP1MMP3MMP2MMP9MMP8
SCHEMBL13537881 0.74 MMP8 (0.41) MMP1MMP3MMP2MMP8
SCHEMBL13821756 0.72 CAPN1 (0.38) MMP1MMP3MMP2MMP9MMP8
SCHEMBL13869052 0.71 SMN1; SMN2 (0.41) MMP1MMP3MMP2ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO MMP1 914/4885MMP3 1702/4885MMP2 755/4885

“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.