SCHEMBL1801225

SCHEMBL1801225

CCCN/C(=N\C#N)NCCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 12/20 0.51
MMP13 P45452 2/20 0.51
MMP2 P08253 7/20 0.49
MMP9 P14780 7/20 0.49
MMP14 P50281 5/20 0.49
MMP1 P03956 4/20 0.49
ADAM17 P78536 4/20 0.49
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
ADAM10 O14672 3/20 0.46
ADAM8 P78325 1/20 0.45
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL1800002 0.92 ADAM17 (0.45) BMP1MMP13MMP2MMP9MMP14
SCHEMBL4369618 0.92 BMP1 (0.51) BMP1MMP13MMP2MMP9MMP14
SCHEMBL1800811 0.88 BMP1 (0.51) BMP1MMP13MMP2MMP9MMP14
SCHEMBL1800828 0.87 BMP1 (0.51) BMP1MMP13MMP2MMP9MMP14
SCHEMBL4381231 0.85 BMP1 (0.43) BMP1MMP13MMP2MMP9MMP14
SCHEMBL1799495 0.85 ADAM17 (0.47) BMP1MMP13MMP2MMP9MMP14
SCHEMBL1800964 0.84 ADAM17 (0.47) BMP1MMP13MMP2MMP9MMP14
SCHEMBL3872450 0.79 MMP13 (0.56) BMP1MMP13MMP2MMP9MMP14
SCHEMBL12619403 0.78 BMP1 (0.61) BMP1MMP13MMP2MMP9MMP14
SCHEMBL4290484 0.78 LMNA (0.38) BMP1MMP13MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US claimed
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
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 BMP1 2305/4885MMP13 62/4885MMP2 133/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 BMP1 2810/4885MMP13 97/4885MMP2 203/4885

“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.