SCHEMBL17793598

SCHEMBL17793598

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.64
▸ CA1 P00915 10/20 0.58
▸ CA2 P00918 10/20 0.58
▸ CA9 Q16790 10/20 0.58
▸ CA12 O43570 6/20 0.58
▸ CA14 Q9ULX7 2/20 0.55
▸ CA7 P43166 1/20 0.55
▸ HTR3A P46098 2/20 0.53
▸ ALB P02768 1/20 0.51
▸ PTGER3 P43115 1/20 0.50
▸ BTK Q06187 1/20 0.48
▸ FKBP1A P62942 1/20 0.48

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
SCHEMBL15505808 0.97 FOLH1 (0.64) FOLH1CA1CA2CA9CA12
SCHEMBL12291693 0.92 CA9 (0.58) FOLH1CA1CA2CA9CA12
SCHEMBL13424230 0.91 FOLH1 (0.66) FOLH1CA1CA2CA9CA12
SCHEMBL13012837 0.91 CA9 (0.60) FOLH1CA1CA2CA9CA12
SCHEMBL13062332 0.90 CA9 (0.57) FOLH1CA1CA2CA9CA12
SCHEMBL22100260 0.88 FOLH1 (0.59) FOLH1CA1CA2CA9CA12
SCHEMBL21610016 0.87 FOLH1 (0.54) FOLH1CA1CA2CA9CA12
SCHEMBL19455835 0.87 FOLH1 (0.55) FOLH1CA1CA2CA9CA12
SCHEMBL17245794 0.87 FOLH1 (0.55) FOLH1CA1CA2CA9CA12
SCHEMBL22414019 0.87 CA9 (0.54) FOLH1CA1CA2CA9CA12

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-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2016-06-02 — — 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-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CA1 397/4885CA2 1844/4885

“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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