SCHEMBL1909511

SCHEMBL1909511

COc1ccc(C(=O)N2CC[C@@H](O)[C@@H]2C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.50
MMP1 P03956 9/20 0.50
MMP9 P14780 7/20 0.50
ADAM17 P78536 5/20 0.50
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
GRM3 Q14832 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
MMP7 P09237 3/20 0.46
MMP13 P45452 2/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL1909477 0.87 GAA (0.58) POLBGAAHPGDGRM3SMN1; SMN2
SCHEMBL2692091 0.84 MMP13 (0.47) MMP1MMP9MMP13EPHX2
SCHEMBL203227 0.84 MMP13 (0.47) MMP1MMP9MMP13EPHX2
SCHEMBL9903924 0.84 MMP13 (0.47) MMP1MMP9MMP13EPHX2
SCHEMBL1909368 0.80 NPC1 (0.55) HPGDSMN1; SMN2TSHRRECQL
SCHEMBL2693341 0.80 ALDH1A1 (0.49) MMP9GAAHPGDSMN1; SMN2TSHR
SCHEMBL2692903 0.79 MMP13 (0.43) MMP9SMN1; SMN2MMP13
SCHEMBL202818 0.79 MMP13 (0.43) MMP9SMN1; SMN2MMP13
SCHEMBL2693072 0.77 MMP13 (0.45) MMP3MMP1MMP9MMP7MMP13
SCHEMBL4650506 0.76 PDK2 (0.39) TSHR

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MMP3 1396/4885MMP1 1000/4885MMP9 1472/4885

“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.