SCHEMBL18530002

SCHEMBL18530002

CC(C)NC(=O)[C@H](CCO)NC(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
PADI1 Q9ULC6 1/20 0.41
PADI4 Q9UM07 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL20485647 1.00 PSMB5 (0.44) PSMB5SMN1; SMN2GAAALOX15PADI1
SCHEMBL20485911 0.79 SMN1; SMN2 (0.44) PSMB5SMN1; SMN2GAAALOX15PADI1
SCHEMBL18529983 0.79 SMN1; SMN2 (0.44) PSMB5SMN1; SMN2GAAALOX15PADI1
SCHEMBL18935499 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPK1TSHRMEN1
SCHEMBL104815 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPK1TSHRMEN1
SCHEMBL24997802 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPK1TSHRMEN1
SCHEMBL24997854 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPK1TSHRMEN1
SCHEMBL18935418 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPK1TSHRMEN1
SCHEMBL20485577 0.76 SMN1; SMN2 (0.38) PSMB5SMN1; SMN2GAAALOX15PADI1
SCHEMBL18530000 0.76 SMN1; SMN2 (0.38) PSMB5SMN1; SMN2GAAALOX15PADI1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198029-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF University Health Network (CA) 2023-06-21 EP disclosed
EP-3337791-B1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF UNIV HEALTH NETWORK (CA) 2022-08-03 EP disclosed
US-10716791-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2020-07-21 US disclosed
US-20180250307-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2018-09-06 US disclosed
EP-3337791-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF University Health Network (CA) 2018-06-27 EP disclosed
WO-2017027967-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2017-02-23 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-10716791-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof PADI2, PADI1, PADI4 PSMB5 1847/4885SMN1; SMN2 4380/4885GAA 375/4885
US-20180250307-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF PADI2, PADI1, PADI4 PSMB5 1847/4885SMN1; SMN2 4380/4885GAA 375/4885

“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.