SCHEMBL1800002

SCHEMBL1800002

CCCN/C(=N\C#N)NCCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.45
MMP1 P03956 2/20 0.45
ADAMTS4 O75173 1/20 0.45
ADAMTS1 Q9UHI8 1/20 0.45
ADAMTS7 Q9UKP4 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
BMP1 P13497 12/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
ADAM10 O14672 3/20 0.44
ADAM8 P78325 3/20 0.44
MMP14 P50281 3/20 0.43
MMP12 P39900 2/20 0.43
MMP13 P45452 1/20 0.42
MMP7 P09237 1/20 0.42

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
SCHEMBL1799495 0.93 ADAM17 (0.47) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1801225 0.92 BMP1 (0.51) ADAM17MMP1BMP1MMP2MMP9
SCHEMBL1800964 0.92 ADAM17 (0.47) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL4369618 0.84 BMP1 (0.51) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL4290532 0.82 ADAM17 (0.50) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1799823 0.81 ADAM17 (0.42) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1800984 0.80 ADAM17 (0.40) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1800811 0.80 BMP1 (0.51) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1800828 0.79 BMP1 (0.51) ADAM17MMP1ADAMTS4ADAMTS1ADAMTS7
SCHEMBL4292057 0.78 TBXA2R (0.38) MMP2MMP9MMP14

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 ADAM17 4/4885MMP1 221/4885ADAMTS4 25/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 ADAM17 4/4885MMP1 366/4885ADAMTS4 45/4885

“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.