SCHEMBL22804000

SCHEMBL22804000

CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ XIAP P98170 1/20 0.47
▸ CTRB1 P17538 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CFD P00746 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
SCHEMBL20210374 1.00 POLB (0.48) POLBXIAPCTRB1KMT2AMEN1
SCHEMBL15216177 1.00 POLB (0.48) POLBXIAPCTRB1KMT2AMEN1
SCHEMBL29350646 1.00 POLB (0.48) POLBXIAPCTRB1KMT2AMEN1
SCHEMBL30963662 0.97 POLB (0.51) POLBXIAPCTRB1KMT2AMEN1
SCHEMBL25404023 0.89 CTRB1 (0.48) CTRB1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL29211787 0.89 CTRB1 (0.48) CTRB1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL25404019 0.89 CTRB1 (0.48) CTRB1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL31500753 0.88 CTRB1 (0.47) POLBCTRB1KMT2AL3MBTL1TSHR
SCHEMBL29413336 0.85 CTRB1 (0.49) CTRB1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL30317756 0.85 CTRB1 (0.49) CTRB1KMT2AL3MBTL1TSHRALDH1A1

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-20200392108-A1 ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS IGENICA BIOTHERAPEUTICS, INC. 2020-12-17 — — 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-20200392108-A1 ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS SDCBP, HDGF, CD81 POLB 4353/4885XIAP 558/4885CTRB1 1856/4885

“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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