SCHEMBL22006247

SCHEMBL22006247

C=C(NCCC(C)(C)OCC(C)OCCC(=O)NCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.53
▸ ALB P02768 2/20 0.46
▸ CA9 Q16790 9/20 0.44
▸ CA1 P00915 8/20 0.43
▸ CA2 P00918 8/20 0.43
▸ CA12 O43570 6/20 0.43
▸ CA14 Q9ULX7 2/20 0.42
▸ CA7 P43166 1/20 0.42
▸ FKBP1A P62942 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ELF3 P78545 2/20 0.39
▸ MED23 Q9ULK4 2/20 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
SCHEMBL22458006 0.94 FOLH1 (0.51) FOLH1ALBCA9CA1CA2
SCHEMBL21892247 0.87 CA9 (0.54) FOLH1ALBCA9CA1CA2
SCHEMBL21892230 0.86 CA9 (0.53) FOLH1ALBCA9CA1CA2
SCHEMBL13424228 0.84 FOLH1 (0.58) FOLH1ALBCA9CA1CA2
SCHEMBL21892227 0.84 FOLH1 (0.54) FOLH1ALBCA9CA1CA2
SCHEMBL13424222 0.83 CA9 (0.60) FOLH1ALBCA9CA1CA2
SCHEMBL13424230 0.83 FOLH1 (0.66) FOLH1ALBCA9CA1CA2
SCHEMBL13062332 0.82 CA9 (0.57) FOLH1ALBCA9CA1CA2
SCHEMBL13012837 0.82 CA9 (0.60) FOLH1ALBCA9CA1CA2
SCHEMBL15505808 0.82 FOLH1 (0.64) FOLH1ALBCA9CA1CA2

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-20200155695-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2020-05-21 — — 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-20200155695-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885ALB 194/4885CA9 121/4885

“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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