SCHEMBL12619406

SCHEMBL12619406

COC(=O)[C@@H](CCCNC(C)=N)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 9/20 0.54
▸ MMP9 P14780 3/20 0.48
▸ MMP13 P45452 4/20 0.48
▸ MMP2 P08253 8/20 0.47
▸ MMP3 P08254 3/20 0.47
▸ CA12 O43570 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP7 P09237 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
SCHEMBL12619409 0.92 MMP2 (0.54) BMP1MMP9MMP13MMP2MMP3
SCHEMBL8358421 0.91 BMP1 (0.54) BMP1MMP9MMP13MMP2MMP3
SCHEMBL12619403 0.89 BMP1 (0.61) BMP1MMP9MMP13MMP2MMP3
SCHEMBL8358332 0.82 MMP2 (0.47) BMP1MMP9MMP13MMP2MMP3
SCHEMBL27734963 0.81 BMP1 (0.52) BMP1MMP9MMP13MMP2MMP3
SCHEMBL1801064 0.81 MMP2 (0.49) BMP1MMP9MMP13MMP2MMP3
SCHEMBL12619398 0.81 BMP1 (0.41) BMP1MMP9MMP2ADAMTS4MMP1
SCHEMBL1799177 0.78 BMP1 (0.58) BMP1MMP9MMP13MMP2MMP3
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL2853451 0.76 ITGB3 (0.57) BMP1MMP9MMP2
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL324561 0.76 ITGB3 (0.57) BMP1MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 — — US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 — — US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 — — 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-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 BMP1 2810/4885MMP9 82/4885MMP13 97/4885

“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.

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