SCHEMBL1800828

SCHEMBL1800828

N#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 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 12/20 0.51
MMP13 P45452 2/20 0.51
MMP2 P08253 6/20 0.49
MMP9 P14780 6/20 0.49
ADAM17 P78536 6/20 0.49
MMP14 P50281 4/20 0.49
ADAM10 O14672 4/20 0.49
ADAM8 P78325 3/20 0.49
MMP12 P39900 2/20 0.49
MMP1 P03956 3/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
ADAMTS4 O75173 1/20 0.45
ADAMTS1 Q9UHI8 1/20 0.45
ADAMTS7 Q9UKP4 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45

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
SCHEMBL1801225 0.87 BMP1 (0.51) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL4369618 0.85 BMP1 (0.51) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1800811 0.85 BMP1 (0.51) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL3872450 0.83 MMP13 (0.56) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1799131 0.83 BMP1 (0.54) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1799495 0.82 ADAM17 (0.47) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1799177 0.82 BMP1 (0.58) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL4381231 0.81 BMP1 (0.43) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1800019 0.81 MMP2 (0.62) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1800002 0.79 ADAM17 (0.45) BMP1MMP13MMP2MMP9ADAM17

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 8 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-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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 (3 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 BMP1 1863/4885MMP13 386/4885MMP2 223/4885
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.