SCHEMBL27190643

SCHEMBL27190643

COC(=O)c1cc(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.46
RBBP4 Q09028 1/20 0.46
SUZ12 Q15022 1/20 0.46
EZH2 Q15910 1/20 0.46
AEBP2 Q6ZN18 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.42
EPHX1 P07099 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 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
SCHEMBL27190592 0.91 REV1 (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL27191110 0.90 KDM4E (0.45) MAPTKDM4ETHRBALDH1A1HCAR1
SCHEMBL27190975 0.90 ALDH1A1 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL30859565 0.88 STS (0.45) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL27190906 0.84 OPRK1 (0.37) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL27190554 0.84 KDM4E (0.39) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL29985324 0.81 CHRM2 (0.39) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL27190482 0.81 KDM4E (0.44) MAPTKDM4ETHRBALDH1A1HCAR1
SCHEMBL31274995 0.80 ALDH1A1 (0.41) ALDH1A1HPGDRAB9A
SCHEMBL30859613 0.80 ALDH1A1 (0.48) MAPTKDM4ETHRBALDH1A1HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHROEDINGER INC (US) 2024-08-22 US disclosed
EP-4346815-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-04-10 EP disclosed
CN-117715642-A Heterocyclic compounds and methods of use 薛定谔公司 2024-03-15 CN disclosed
WO-2022251497-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2022-12-01 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 (1 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-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 EED 3994/4885RBBP4 1949/4885SUZ12 1632/4885

“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.