SCHEMBL18529976

SCHEMBL18529976

COC(=O)[C@H](CCN1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 1/20 0.68
PADI4 Q9UM07 1/20 0.68
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
ACKR3 P25106 3/20 0.43
HRH3 Q9Y5N1 1/20 0.42
YAP1 P46937 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18529974 1.00 PADI1 (0.68) PADI1PADI4KDM4EMAPTMEN1
SCHEMBL18530003 0.90 PADI1 (0.54) PADI1PADI4KDM4EMAPTMEN1
SCHEMBL18530001 0.90 PADI1 (0.54) PADI1PADI4KDM4EMAPTMEN1
SCHEMBL18529995 0.87 PADI1 (0.74) PADI1PADI4KDM4EMAPTKMT2A
SCHEMBL18529963 0.86 PADI1 (0.51) PADI1PADI4MAPTMEN1KMT2A
SCHEMBL20485587 0.86 PADI1 (0.51) PADI1PADI4MAPTMEN1KMT2A
SCHEMBL18546459 0.82 PADI1 (0.98) PADI1PADI4MAPTKMT2AALOX15
SCHEMBL18546553 0.82 PADI1 (0.98) PADI1PADI4MAPTKMT2AALOX15
SCHEMBL18546885 0.79 CTSL (0.46) KDM4EMEN1KMT2AACKR3
SCHEMBL18529998 0.79 CTSL (0.46) KDM4EMEN1KMT2AACKR3

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 9 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-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-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
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 PADI1 2/4885PADI4 3/4885KDM4E 2273/4885
US-20180250307-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF PADI2, PADI1, PADI4 PADI1 2/4885PADI4 3/4885KDM4E 2273/4885

“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.