SCHEMBL569735

SCHEMBL569735

O=C(NC(CO)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.59
CASP1 P29466 1/20 0.53
MMP2 P08253 7/20 0.49
ADAMTS4 O75173 4/20 0.49
MMP14 P50281 3/20 0.49
ADAMTS5 Q9UNA0 3/20 0.49
MMP1 P03956 2/20 0.48
MEP1B Q16820 1/20 0.48
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CTRB1 P17538 2/20 0.46
CTSK P43235 2/20 0.46
CTSS P25774 1/20 0.46
MMP9 P14780 2/20 0.45
ADAM17 P78536 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 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
SCHEMBL568976 1.00 MMP13 (0.59) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL3710096 0.85 MMP2 (0.64) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL3806694 0.85 MMP2 (0.64) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL3710092 0.85 MMP2 (0.64) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL10029089 0.84 MMP2 (0.53) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL569308 0.81 MMP2 (0.50) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL569487 0.81 MMP2 (0.50) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL13140886 0.80 CTRB1 (0.53) CASP1CA2CA9CTRB1CTSK
SCHEMBL16602231 0.80 MMP2 (0.49) MMP13CASP1MMP2ADAMTS4MMP14
SCHEMBL7180333 0.79 MMP13 (0.82) MMP13CASP1MMP1CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993544-B2 Carbamoylphosphonates as inhibitors and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2015-03-31 US disclosed
EP-2393495-B1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RES DEV CO (IL) 2014-07-23 EP disclosed
US-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2012-02-09 US disclosed
EP-2393495-A1 CARJBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) 2011-12-14 EP disclosed
WO-2010089752-A1 CARJBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2010-08-12 WO 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 (1 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-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF MMP9, MMP26, MMP25 MMP13 8/4885CASP1 476/4885MMP2 10/4885

“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.