SCHEMBL19952802

SCHEMBL19952802

CCOC(=O)CC(=O)Nc1ccc(C)cc1C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
TP53 P04637 5/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 2/20 0.57
LMNA P02545 3/20 0.56
THRB P10828 1/20 0.55
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11682047 0.88 MAPT (0.67) TP53GAAALDH1A1LMNATHRB
SCHEMBL11727445 0.82 PKM (0.73) PKMTP53GAAALDH1A1LMNA
SCHEMBL28942578 0.81 ALDH1A1 (0.61) PKMTP53GAAALDH1A1LMNA
SCHEMBL21629314 0.78 TP53 (0.73) PKMTP53GAAALDH1A1LMNA
SCHEMBL16624687 0.78 ALDH1A1 (0.55) PKMTP53GAAALDH1A1LMNA
SCHEMBL11638581 0.77 PKM (0.62) PKMTP53GAAALDH1A1LMNA
SCHEMBL7000095 0.77 KDM4E (0.67) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2921293 0.76 PKM (0.64) PKMTP53GAAALDH1A1LMNA
SCHEMBL14916767 0.76 SMN1; SMN2 (0.68) TP53GAAALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL11854537 0.74 MAPT (0.59) PKMTP53GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
EP-3510025-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-07-17 EP disclosed
WO-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 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-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PKM 1823/4885TP53 1404/4885GAA 904/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PKM 1823/4885TP53 1404/4885GAA 904/4885

“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.