SCHEMBL1798547

SCHEMBL1798547

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.67
MMP13 P45452 7/20 0.62
ADAMTS4 O75173 6/20 0.62
MMP2 P08253 6/20 0.62
MMP3 P08254 3/20 0.62
MMP1 P03956 3/20 0.62
MMP7 P09237 1/20 0.62
TARS1 P26639 1/20 0.59
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP14 P50281 2/20 0.50
ADAMTS5 Q9UNA0 2/20 0.50
MEP1B Q16820 1/20 0.50
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
MAPK1 P28482 1/20 0.49
FFAR1 O14842 1/20 0.49
PGR P06401 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL1798546 1.00 MMP9 (0.67) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL14217417 0.88 MMP9 (0.74) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL6687951 0.87 MMP9 (0.52) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL6687955 0.87 MMP9 (0.52) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL791357 0.86 ADAMTS4 (0.61) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL3687103 0.86 ADAMTS4 (0.61) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL1800250 0.84 MMP13 (0.76) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL1800247 0.84 MMP13 (0.76) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL16000119 0.82 MMP9 (0.68) MMP9MMP13ADAMTS4MMP2MMP3
SCHEMBL14602231 0.79 MMP9 (0.82) MMP9MMP13ADAMTS4MMP2MMP3

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 4 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
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 MMP9 35/4885MMP13 62/4885ADAMTS4 25/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP9 82/4885MMP13 97/4885ADAMTS4 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.