SCHEMBL31562691

SCHEMBL31562691

COc1cc(O)c(C=O)c(O[C@H](C)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.65
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL31562461 0.87 ERN1 (0.63) ERN1KMT2ACYP3A4USP2MAPK1
SCHEMBL31562367 0.80 HDAC8 (0.49) ERN1KMT2ASMN1; SMN2PPARGPPARD
SCHEMBL829755 0.80 ERN1 (1.00) ERN1CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL30294862 0.78 ERN1 (0.96) ERN1CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL7031594 0.76 ERN1 (0.78) ERN1KMT2ACYP3A4USP2MAPK1
SCHEMBL31562188 0.75 ERN1 (0.67) ERN1CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL15329865 0.75 ALDH1A1 (0.61) ERN1KMT2ASMN1; SMN2TRIM24TYR
SCHEMBL5561673 0.75 ERN1 (0.51) ERN1KMT2APPARGPPARDPPARA
SCHEMBL28940297 0.73 KMT2A (0.54) KMT2ACYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL23442397 0.73 ERN1 (0.73) ERN1KMT2ACYP3A4USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-09-18 — — US disclosed
WO-2025090658-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-05-01 — — 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-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF CDK2, CDK20, CDK1 ERN1 1389/4885KMT2A 85/4885CYP3A4 2478/4885

“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.

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