SCHEMBL569559

SCHEMBL569559

CC(C)(C)OC(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.65
CA2 P00918 11/20 0.65
CA12 O43570 10/20 0.65
CA9 Q16790 10/20 0.65
MMP2 P08253 7/20 0.65
MMP13 P45452 3/20 0.55
ADAMTS4 O75173 2/20 0.55
MMP14 P50281 2/20 0.55
ADAMTS5 Q9UNA0 2/20 0.55
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
MMP1 P03956 1/20 0.51
MEP1B Q16820 1/20 0.51
PKM P14618 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ACACB O00763 1/20 0.47
BRD4 O60885 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL569562 0.99 CA12 (0.65) CA1CA2CA12CA9MMP2
SCHEMBL569947 0.99 CA12 (0.65) CA1CA2CA12CA9MMP2
SCHEMBL6038379 0.88 ALDH1A1 (0.58) CA1CA2CA12CA9MMP2
SCHEMBL29262772 0.86 CA12 (0.59) CA1CA2CA12CA9MMP2
SCHEMBL568973 0.85 CA12 (0.49) CA1CA2CA12CA9MMP2
SCHEMBL5094941 0.83 ALDH1A1 (0.60) CA1CA2CA12CA9ALDH1A1
SCHEMBL8901368 0.83 ACACB (0.66) CA1CA2CA12CA9ALDH1A1
SCHEMBL8889970 0.83 ACACB (0.66) CA1CA2CA12CA9ALDH1A1
SCHEMBL14831226 0.82 USP2 (0.56) CA1CA2CA12CA9MMP2
SCHEMBL24762017 0.82 ALDH1A1 (0.60) CA1CA2CA12CA9ALDH1A1

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 9 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
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
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
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
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 CA1 247/4885CA2 91/4885CA12 307/4885

“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.