SCHEMBL3190128

SCHEMBL3190128

NC(=O)[C@H](CO)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 5/20 0.55
PADI4 Q9UM07 5/20 0.55
PADI2 Q9Y2J8 4/20 0.55
PDE4A P27815 3/20 0.55
PADI3 Q9ULW8 3/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
PADI6 Q6TGC4 1/20 0.55
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
HPGDS O60760 5/20 0.51
SLC1A2 P43004 1/20 0.49
MMP12 P39900 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5569820 1.00 PADI1 (0.55) PADI1PADI4PADI2PDE4APADI3
SCHEMBL18803701 0.87 CA2 (0.51) CA2CA1CA12CA9ALDH1A1
SCHEMBL2791574 0.85 CA2 (0.66) CA2CA1CA12CA9SLC1A2
SCHEMBL2792747 0.85 CA2 (0.66) CA2CA1CA12CA9SLC1A2
SCHEMBL9943491 0.85 CA2 (0.66) CA2CA1CA12CA9SLC1A2
SCHEMBL24945573 0.84 CTRB1 (0.55) PADI1PADI4PADI2PDE4APADI3
SCHEMBL24945572 0.84 CTRB1 (0.55) PADI1PADI4PADI2PDE4APADI3
SCHEMBL20277616 0.83 HPGDS (0.71) CA2CA1CA12CA9HPGDS
SCHEMBL17244326 0.83 HPGDS (0.71) CA2CA1CA12CA9HPGDS
SCHEMBL4194914 0.81 HPGDS (0.65) PADI1PADI4PADI2PDE4APADI3

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-20100113756-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT INC. (US) 2010-05-06 US disclosed
US-7674902-B2 Luminescent metal complexes for monitoring renal function MALLINCKRODT INC. (US) 2010-03-09 US disclosed
US-20080299038-A1 Luminescent Metal Complexes for Monitoring Renal Function MALLINCKRODT INC. (US) 2008-12-04 US disclosed
EP-1793866-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT, INC. (US) 2007-06-13 EP disclosed
WO-2006026038-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT INC. (US) 2006-03-09 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 (2 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-20080299038-A1 Luminescent Metal Complexes for Monitoring Renal Function REN, GLS, ATP6V1B1 PADI1 1070/4885PADI4 1701/4885PADI2 1663/4885
US-20100113756-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION REN, GLS, ATP6V1B1 PADI1 1140/4885PADI4 1687/4885PADI2 1698/4885

“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.