SCHEMBL569561

SCHEMBL569561

CC(C)(C)OC(=O)CCCC(N)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.49
MMP13 P45452 12/20 0.47
MMP2 P08253 11/20 0.47
MMP3 P08254 5/20 0.47
ADAMTS4 O75173 4/20 0.47
MMP1 P03956 4/20 0.47
MMP7 P09237 2/20 0.47
TARS1 P26639 1/20 0.47
MMP14 P50281 4/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEP1B Q16820 1/20 0.42
MMP12 P39900 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL6504669 0.77 SLC1A2 (0.47) MMP2ADAMTS4CA2CA9
SCHEMBL3718689 0.77 MMP2 (0.53) MMP9MMP13MMP2MMP3ADAMTS4
SCHEMBL569560 0.74 MMP2 (0.52) MMP9MMP13MMP2MMP3ADAMTS4
SCHEMBL3710102 0.74 MMP13 (0.54) MMP9MMP13MMP2MMP3ADAMTS4
SCHEMBL9891445 0.71 PDK1 (0.47) LTA4H
SCHEMBL7354064 0.70 MMP9 (0.69) MMP9MMP13MMP2MMP3ADAMTS4
SCHEMBL28761685 0.70 SLC1A3 (0.55) MMP9MMP13MMP2MMP3ADAMTS4
SCHEMBL1798546 0.69 MMP9 (0.67) MMP9MMP13MMP2MMP3ADAMTS4
SCHEMBL1798547 0.69 MMP9 (0.67) MMP9MMP13MMP2MMP3ADAMTS4
SCHEMBL569559 0.69 CA1 (0.65) MMP13MMP2ADAMTS4MMP1MMP14

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 3 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

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 MMP9 1/4885MMP13 8/4885MMP2 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.