SCHEMBL25301720

SCHEMBL25301720

CC(C)(C)OC(=O)CC(CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.62
CTRB1 P17538 2/20 0.52
CASP1 P29466 10/20 0.51
CTSK P43235 2/20 0.47
ATM Q13315 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 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
SCHEMBL25256638 1.00 SYK (0.62) SYKCTRB1CASP1CTSKATM
SCHEMBL6685929 0.90 SYK (0.59) SYKCTRB1CASP1CTSKATM
SCHEMBL6685926 0.90 SYK (0.59) SYKCTRB1CASP1CTSKATM
SCHEMBL7496788 0.90 SYK (0.62) SYKCTRB1CASP1CTSKATM
SCHEMBL7360205 0.90 CTRB1 (0.62) SYKCTRB1CTSKATMCTSL
SCHEMBL12849405 0.90 SYK (0.72) SYKCTRB1CASP1CTSKATM
SCHEMBL7360200 0.90 CTRB1 (0.62) SYKCTRB1CTSKATMCTSL
SCHEMBL5197783 0.90 SYK (0.62) SYKCTRB1CASP1CTSKATM
Biphenyl SCHEMBL5686500 0.89 SYK (0.52) SYKCTRB1CASP1CTSLITGB3
SCHEMBL19401966 0.89 SYK (0.58) SYKCTRB1CASP1CTSKATM

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US disclosed
EP-4463444-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2024-11-20 EP disclosed
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI SYK 2790/4885CTRB1 2529/4885CASP1 2777/4885

“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.