SCHEMBL568973

SCHEMBL568973

CC(C)(C)OC(=O)NCCCCCNS(=O)(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.49
CA9 Q16790 9/20 0.49
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
BRD4 O60885 1/20 0.48
MMP2 P08253 4/20 0.48
DRD2 P14416 4/20 0.47
TDP1 Q9NUW8 1/20 0.46
CASP1 P29466 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL569947 0.86 CA12 (0.65) CA12CA9CA1CA2MMP2
SCHEMBL569562 0.86 CA12 (0.65) CA12CA9CA1CA2MMP2
SCHEMBL569559 0.85 CA1 (0.65) CA12CA9CA1CA2BRD4
SCHEMBL12496831 0.82 RECQL (0.60) CA12CA9CA1CA2MMP2
SCHEMBL8900784 0.81 NPY5R (0.64) CA12CA9CA1CA2BRD4
SCHEMBL8890347 0.81 NPY5R (0.64) CA12CA9CA1CA2BRD4
SCHEMBL14748139 0.80 BRD4 (0.48) CA12CA9CA1CA2BRD4
SCHEMBL1956562 0.79 NPY5R (0.60) CA12CA9CA1CA2BRD4
SCHEMBL6789630 0.79 NPY5R (0.60) CA12CA9CA1CA2BRD4
SCHEMBL7897638 0.79 NPY5R (0.60) CA12CA9CA1CA2BRD4

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 CA12 307/4885CA9 104/4885CA1 247/4885

“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.