SCHEMBL22883093

SCHEMBL22883093

CCC1CCC(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)NCCCCC(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 17/20 0.75
▸ PLG P00747 3/20 0.57
▸ PRSS1 P07477 3/20 0.57
▸ PRSS2 P07478 3/20 0.57
▸ PRSS3 P35030 3/20 0.57
▸ PLAU P00749 1/20 0.49

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
SCHEMBL19296386 0.93 FOLH1 (0.77) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL26090338 0.93 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679477 0.93 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679057 0.93 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL28659047 0.93 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL23553003 0.93 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL21310703 0.93 FOLH1 (0.82) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL19296389 0.93 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL26178698 0.92 FOLH1 (0.78) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL27303660 0.92 FOLH1 (0.73) FOLH1PLGPRSS1PRSS2PRSS3

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-20210008232-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS FOR TARGETING PROSTATE CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-14 — — 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-20210008232-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS FOR TARGETING PROSTATE CANCER KLK3, MAN2B2, BPHL FOLH1 9/4885PLG 2131/4885PRSS1 476/4885

“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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