SCHEMBL10029089

SCHEMBL10029089

CP(C)(=O)C(=O)NC[C@@H](CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.53
CA2 P00918 6/20 0.53
CA9 Q16790 6/20 0.53
MMP13 P45452 3/20 0.49
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CASP1 P29466 1/20 0.45
CTSK P43235 2/20 0.44
CTSS P25774 1/20 0.44
SYK P43405 1/20 0.44
ELANE P08246 2/20 0.43
PRTN3 P24158 2/20 0.43
ADAMTS4 O75173 3/20 0.43
MMP14 P50281 2/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
MMP1 P03956 1/20 0.42
MEP1B Q16820 1/20 0.42
CTRB1 P17538 2/20 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
SCHEMBL3710092 0.92 MMP2 (0.64) MMP2CA2CA9MMP13CA12
SCHEMBL3806694 0.92 MMP2 (0.64) MMP2CA2CA9MMP13CA12
SCHEMBL3710096 0.92 MMP2 (0.64) MMP2CA2CA9MMP13CA12
SCHEMBL569308 0.89 MMP2 (0.50) MMP2CA2CA9MMP13CA12
SCHEMBL569487 0.89 MMP2 (0.50) MMP2CA2CA9MMP13CA12
SCHEMBL16602231 0.88 MMP2 (0.49) MMP2CA2CA9MMP13CA12
SCHEMBL568976 0.84 MMP13 (0.59) MMP2CA2CA9MMP13CA12
SCHEMBL569735 0.84 MMP13 (0.59) MMP2CA2CA9MMP13CA12
SCHEMBL10029078 0.82 MMP13 (0.45) MMP2CA2CA9MMP13CTSK
SCHEMBL10029085 0.80 SYK (0.54) CTSKCTSSSYKELANEPRTN3

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 2 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-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 MMP2 10/4885CA2 91/4885CA9 104/4885

“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.