SCHEMBL6838745

SCHEMBL6838745

CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.68
MMP9 P14780 11/20 0.68
MMP8 P22894 8/20 0.68
MMP1 P03956 12/20 0.56
MMP14 P50281 4/20 0.56
MMP3 P08254 10/20 0.54
ADAM17 P78536 4/20 0.54
MMP7 P09237 3/20 0.54
MMP13 P45452 2/20 0.54
MMP20 O60882 1/20 0.54
ADAMTS4 O75173 1/20 0.54
TNF P01375 1/20 0.54
MMP10 P09238 1/20 0.54
MMP12 P39900 1/20 0.54
MMP15 P51511 1/20 0.54
MMP16 P51512 1/20 0.54
MMP25 Q9NPA2 1/20 0.54
MMP26 Q9NRE1 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
MMP24 Q9Y5R2 1/20 0.54

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
SCHEMBL13274200 1.00 MMP2 (0.68) MMP2MMP9MMP8MMP1MMP14
SCHEMBL7980261 0.90 MMP2 (0.57) MMP2MMP9MMP8MMP1MMP14
SCHEMBL30833289 0.83 MMP2 (0.44) MMP2MMP9MMP8MMP1MMP14
SCHEMBL14081288 0.82 MMP2 (1.00) MMP2MMP9MMP8MMP1MMP14
SCHEMBL14081273 0.78 MMP2 (0.75) MMP2MMP9MMP8MMP1MMP14
SCHEMBL19286780 0.75 MMP2 (0.75) MMP2MMP9MMP8MMP1MMP14
SCHEMBL19270372 0.73 MMP1 (0.51) MMP1MMP3
SCHEMBL14081338 0.73 MMP2 (0.71) MMP2MMP9MMP8MMP1MMP14
SCHEMBL25001007 0.73 MMP3 (0.46) MMP2MMP9MMP1MMP14MMP3
SCHEMBL7406329 0.71 MMP1 (0.80) MMP2MMP9MMP8MMP1MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PHARMACIA CORPORATION 2004-06-24 US claimed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 US disclosed
US-7413727-B2 Contrast agents GE HEALTHCARE AS (NO) 2008-08-19 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 (2 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-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PTGES2, PTGS2, PTGIS MMP2 60/4885MMP9 21/4885MMP8 20/4885
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE MMP17, MMP25, TIMP3 MMP2 7/4885MMP9 29/4885MMP8 6/4885

“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.