SCHEMBL26106876

SCHEMBL26106876

CC[C@@]1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCCNC(=O)OC(C)(C)C)OCO3

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 11/20 0.57
▸ HDAC3 O15379 8/20 0.52
▸ HDAC1 Q13547 8/20 0.52
▸ HDAC6 Q9UBN7 8/20 0.52
▸ SLC2A1 P11166 1/20 0.51

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
SCHEMBL26108847 0.90 TOP1 (0.72) TOP1SLC2A1
SCHEMBL24642412 0.86 TOP1 (0.55) TOP1HDAC3HDAC1HDAC6
SCHEMBL31317625 0.86 TOP1 (0.55) TOP1HDAC3HDAC1HDAC6
SCHEMBL31538097 0.86 TOP1 (0.55) TOP1HDAC3HDAC1HDAC6
SCHEMBL9563444 0.85 TOP1 (0.73) TOP1SLC2A1
SCHEMBL24642901 0.85 TOP1 (0.68) TOP1SLC2A1
SCHEMBL29323278 0.84 TOP1 (0.64) TOP1HDAC3HDAC1HDAC6
SCHEMBL5960183 0.84 HDAC6 (0.59) HDAC3HDAC1HDAC6
SCHEMBL29322803 0.83 TOP1 (0.65) TOP1HDAC3HDAC1HDAC6SLC2A1
SCHEMBL7629080 0.83 HDAC3 (0.59) TOP1HDAC3HDAC1HDAC6

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-20240108745-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF MEDILINK THERAPEUTICS (SUZHOU) CO., LTD. (CN) 2024-04-04 — — US disclosed
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP 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-20240108745-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF CTSL, VIP, FURIN TOP1 3533/4885HDAC3 4136/4885HDAC1 2969/4885

“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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