SCHEMBL4530951

SCHEMBL4530951

CC(C)N([C@H](C(=O)NO)[C@@H](C)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.61
MMP9 P14780 16/20 0.61
MMP1 P03956 10/20 0.61
MMP14 P50281 10/20 0.61
MMP13 P45452 10/20 0.61
MMP3 P08254 8/20 0.61
MMP8 P22894 7/20 0.61
MMP16 P51512 5/20 0.61
ADAM17 P78536 3/20 0.61
MMP12 P39900 3/20 0.61
NPC1 O15118 1/20 0.61
MTOR P42345 1/20 0.61
RAB9A P51151 1/20 0.61
ADAMTS4 O75173 1/20 0.51

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
SCHEMBL404336 0.87 ADAMTS4 (0.65) MMP2MMP9MMP1MMP14MMP13
SCHEMBL20214127 0.76 MMP2 (1.00) MMP2MMP9MMP1MMP14MMP13
SCHEMBL12605175 0.76 MMP2 (1.00) MMP2MMP9MMP1MMP14MMP13
SCHEMBL13738485 0.76 MMP2 (1.00) MMP2MMP9MMP1MMP14MMP13
SCHEMBL9925900 0.73 MMP2 (0.45) MMP2MMP9MMP1MMP14MMP13
SCHEMBL403544 0.73 MMP2 (0.45) MMP2MMP9MMP1MMP14MMP13
SCHEMBL405125 0.73 MMP9 (0.66) MMP2MMP9MMP1MMP14MMP13
SCHEMBL4915104 0.73 MMP9 (0.66) MMP2MMP9MMP1MMP14MMP13
SCHEMBL5692574 0.71 ADAMTS4 (0.75) MMP2MMP9MMP1MMP14MMP13
SCHEMBL4237857 0.70 MMP2 (0.51) MMP2MMP9MMP1MMP14MMP13

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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP2 450/4885MMP9 1472/4885MMP1 1000/4885

“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.