SCHEMBL23193103

SCHEMBL23193103

CC(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCn2cc(CNC(=O)c3coc(-c4cnc(S(C)(=O)=O)nc4)n3)nn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.34
▸ OPRM1 P35372 1/20 0.30
▸ HDAC1 Q13547 2/20 0.30
▸ SIRT2 Q8IXJ6 2/20 0.30
▸ HDAC6 Q9UBN7 2/20 0.30

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
SCHEMBL22618762 0.94 FOLH1 (0.32) FOLH1
SCHEMBL23192990 0.92 FOLH1 (0.32) FOLH1
SCHEMBL23193003 0.84 FOLH1 (0.35) FOLH1OPRM1HDAC1SIRT2HDAC6
SCHEMBL22561392 0.83 FOLH1 (0.36) FOLH1OPRM1HDAC1SIRT2HDAC6
SCHEMBL22561476 0.80 FOLH1 (0.34) FOLH1OPRM1
SCHEMBL22618763 0.79 FOLH1 (0.34) FOLH1OPRM1
SCHEMBL22618791 0.79 FOLH1 (0.34) FOLH1OPRM1
SCHEMBL23193044 0.76 FOLH1 (0.37) FOLH1HDAC1SIRT2HDAC6
SCHEMBL25100412 0.75 FOLH1 (0.39) FOLH1SIRT2
SCHEMBL27189806 0.75 FOLH1 (0.34) FOLH1OPRM1HDAC1SIRT2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-04-08 — — US 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-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA FOLH1 207/4885OPRM1 4247/4885HDAC1 1777/4885

“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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