SCHEMBL1799173

SCHEMBL1799173

N=C(N)NCCC[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.41
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 5/20 0.41
MMP14 P50281 7/20 0.41
MMP1 P03956 7/20 0.41
MMP9 P14780 7/20 0.41
MMP13 P45452 6/20 0.41
MMP8 P22894 5/20 0.41
MMP16 P51512 3/20 0.41
PTGES O14684 2/20 0.41
MMP3 P08254 5/20 0.41
MMP12 P39900 1/20 0.41
BMP1 P13497 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
ADAM17 P78536 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL4372258 0.91 F2 (0.41) MMP2MMP14MMP1MMP9MMP13
SCHEMBL4380644 0.86 MMP2 (0.43) MMP2CA1CA2CA9CA12
SCHEMBL4375791 0.84 MMP2 (0.42) MMP2CA1CA2CA9CA12
SCHEMBL1800017 0.84 MMP2 (0.44) MMP2MMP14MMP1MMP9MMP13
SCHEMBL4290484 0.79 LMNA (0.38) MMP2CA1CA2CA9CA12
SCHEMBL7597372 0.79 F2 (0.40) BMP1
SCHEMBL1801064 0.79 MMP2 (0.49) MMP2CA1CA2CA9CA12
SCHEMBL4375889 0.76 MAPK8 (0.35) MMP2MMP14MMP1MMP13BMP1
SCHEMBL4377327 0.76 F2 (0.39) MMP2CA1CA2CA9CA12
SCHEMBL4370947 0.75 OPRM1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP 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 MMP2 133/4885CA1 461/4885CA2 1016/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 MMP2 223/4885CA1 683/4885CA2 2383/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP2 203/4885CA1 668/4885CA2 1165/4885

“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.