SCHEMBL22618502

SCHEMBL22618502

C[C@H](NC(=O)CCCCCNC(=O)Cc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H]1C(=O)O[C@@H]1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.52
▸ FOLH1 Q04609 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ HTRA2 O43464 8/20 0.47
▸ HTRA1 Q92743 8/20 0.47
▸ CA9 Q16790 4/20 0.45
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ CA14 Q9ULX7 2/20 0.44
▸ CA7 P43166 1/20 0.44

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
SCHEMBL22618551 1.00 ALB (0.52) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618487 1.00 ALB (0.52) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618495 0.93 ESR1 (0.52) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618538 0.93 ESR1 (0.52) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618554 0.93 ALB (0.52) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618511 0.93 ALB (0.52) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618482 0.91 HTRA2 (0.54) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618483 0.91 HTRA2 (0.54) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618543 0.91 HTRA2 (0.54) ALBFOLH1ESR1HTRA2HTRA1
SCHEMBL22618493 0.91 ALB (0.55) ALBFOLH1ESR1HTRA2HTRA1

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-10822318-B2 Lactone-based probes and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-11-03 — — 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-10822318-B2 Lactone-based probes and methods of use thereof MRPL21, QPCTL, ARGLU1 ALB 2831/4885FOLH1 137/4885ESR1 1178/4885

“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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