SCHEMBL31645451

SCHEMBL31645451

COC(=O)C1C(=O)c2ccccc2C12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.45
▸ PDK2 Q15119 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ STS P08842 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
SCHEMBL14530284 0.76 KDM1A (0.45) KDM1APDK2TSHRALOX15ATM
SCHEMBL31645476 0.76 KDM1A (0.45) KDM1APDK2TSHRALOX15ATM
SCHEMBL2176120 0.74 HDAC1 (0.44) KDM1APDK2TSHRALOX15ATM
SCHEMBL29562510 0.73 HRH3 (0.51) KDM1APDK2TSHRALOX15ATM
SCHEMBL1221984 0.73 HRH3 (0.51) KDM1APDK2TSHRALOX15ATM
SCHEMBL14300919 0.72 HSD11B1 (0.46) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272834 0.72 HSD11B1 (0.46) KDM1ATSHRALOX15ATMGPR119
SCHEMBL29993143 0.72 OPRD1 (0.49) KDM1APDK2TSHRALOX15ATM
SCHEMBL20511867 0.72 OPRD1 (0.49) KDM1APDK2TSHRALOX15ATM
SCHEMBL6959970 0.72 KDM1A (0.52) KDM1APDK2TSHRALOX15ATM

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-20250230168-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. 2025-07-17 — — US disclosed
WO-2025137640-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-26 — — 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-20250230168-A1 AZASPIRO WRN INHIBITORS WRN, RECQL, BLM KDM1A 1898/4885PDK2 1215/4885TSHR 3555/4885

“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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