SCHEMBL20580231

SCHEMBL20580231

O=C(O)NOCCC(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
AOC3 Q16853 3/20 0.46
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
RIPK1 Q13546 1/20 0.43
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL20580230 1.00 BCAT2 (0.49) BCAT2AOC3KDM4EL3MBTL1SMN1; SMN2
SCHEMBL22444835 0.84 HDAC4 (0.43) KDM4E
SCHEMBL26087473 0.84 HDAC4 (0.43) KDM4E
SCHEMBL20580382 0.84 HDAC4 (0.43) KDM4E
SCHEMBL18921533 0.81 RIPK1 (0.50) BCAT2SMN1; SMN2NPC1RAB9ARIPK1
SCHEMBL22456387 0.81 RIPK1 (0.50) BCAT2SMN1; SMN2NPC1RAB9ARIPK1
SCHEMBL21783573 0.81 RIPK1 (0.50) BCAT2AOC3SMN1; SMN2NPC1RAB9A
SCHEMBL22232743 0.81 RIPK1 (0.50) BCAT2SMN1; SMN2NPC1RAB9ARIPK1
SCHEMBL29433920 0.80 PNMT (0.56) SMN1; SMN2ALDH1A1
SCHEMBL20580058 0.80 GAA (0.42) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037330-B2 Heteroaryl derivative compounds, and uses thereof VORONOI INC. (KR) 2024-07-16 US disclosed
US-20240166640-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2024-05-23 US disclosed
WO-2024106914-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF VORONOI INC. (KR) 2024-05-23 WO disclosed
EP-4342895-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-03-27 EP disclosed
US-20240025888-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2024-01-25 US disclosed
WO-2023187471-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2023-10-05 WO disclosed
WO-2023068881-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES 주식회사 보로노이바이오 2023-04-27 WO disclosed
WO-2022131741-A1 ISOXAZOLIDINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2022-06-23 WO disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) APTUIT (VERONA) S.R.L. (IT) 2018-12-13 US 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 (5 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-12037330-B2 Heteroaryl derivative compounds, and uses thereof ERBB2, EGFR, ERBB3 BCAT2 1444/4885AOC3 3839/4885KDM4E 3677/4885
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) RIPK1, RIPK2, RIPK3 BCAT2 4405/4885AOC3 4489/4885KDM4E 4151/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 BCAT2 4405/4885AOC3 4489/4885KDM4E 4151/4885
US-20240166640-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF ERBB2, EGFR, ERBB3 BCAT2 1444/4885AOC3 3839/4885KDM4E 3677/4885
US-20240025888-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF ERBB2, EGFR, ERBB3 BCAT2 1444/4885AOC3 3839/4885KDM4E 3677/4885

“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.