SCHEMBL20214403

SCHEMBL20214403

C=CCN1Cc2cccc(C(=O)O)c2C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
ALOX15 P16050 1/20 0.58
PARP1 P09874 14/20 0.52
PARP2 Q9UGN5 8/20 0.51
LMNA P02545 1/20 0.50
PREP P48147 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK10 P53779 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
SCHEMBL29802795 0.79 PARP1 (0.80) HTTALOX15PARP1PARP2LMNA
SCHEMBL17207994 0.79 PARP1 (0.80) HTTALOX15PARP1PARP2LMNA
SCHEMBL4032899 0.78 PARP1 (0.42) HTTALOX15PARP1PARP2LMNA
SCHEMBL833951 0.78 PARP1 (0.78) HTTALOX15PARP1PARP2LMNA
SCHEMBL15730847 0.77 PARP1 (0.65) HTTALOX15PARP1PARP2PREP
SCHEMBL1863347 0.77 HTT (0.71) HTTALOX15PARP1PARP2LMNA
SCHEMBL29802830 0.77 PARP1 (0.81) HTTALOX15PARP1PARP2LMNA
SCHEMBL835757 0.76 PARP1 (0.74) HTTALOX15PARP1PARP2LMNA
SCHEMBL1865315 0.76 HTT (0.86) HTTALOX15PARP1PARP2KDM4E
SCHEMBL17208008 0.76 POLB (0.67) HTTALOX15PARP1PARP2LMNA

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-11208386-B2 Inhibitors of protein arginine deiminases (PADs) and methods of preparation and use thereof UNIVERSITY OF MASSACHUSETTS (US) 2021-12-28 US disclosed
US-20200339518-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF UNIV MASSACHUSETTS (US) 2020-10-29 US disclosed
WO-2018102262-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2018-06-07 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-11208386-B2 Inhibitors of protein arginine deiminases (PADs) and methods of preparation and use thereof PADI2, PADI1, PADI4 HTT 4217/4885ALOX15 1539/4885PARP1 605/4885
US-20200339518-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF PADI2, PADI1, PADI4 HTT 4217/4885ALOX15 1539/4885PARP1 605/4885

“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.