SCHEMBL26440808

SCHEMBL26440808

N=C(N)NCCC[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.42
ALB P02768 1/20 0.38
NPY4R P50391 4/20 0.37
NPY1R P25929 3/20 0.37
NPY5R Q15761 3/20 0.37
NPY2R P49146 1/20 0.37
ALDH1A1 P00352 1/20 0.36
QRFPR Q96P65 1/20 0.35

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
SCHEMBL12705108 0.82 FOLH1 (0.44) FOLH1ALBNPY4RNPY1RNPY5R
SCHEMBL13311819 0.80 SIRT5 (0.48) FOLH1ALBNPY4RNPY1RNPY5R
SCHEMBL26504875 0.80 FOLH1 (0.48) FOLH1ALB
SCHEMBL14300277 0.80 FOLH1 (0.44) FOLH1ALDH1A1
SCHEMBL29300452 0.79 NOD1 (0.45) FOLH1ALB
SCHEMBL29299817 0.78 FOLH1 (0.45) FOLH1ALBNPY4RNPY1RNPY5R
SCHEMBL20133399 0.78 QRFPR (0.43) FOLH1QRFPR
SCHEMBL6664909 0.78 FOLH1 (0.53) FOLH1NPY4RNPY1RNPY5RNPY2R
SCHEMBL16322720 0.77 FOLH1 (0.48) FOLH1ALBALDH1A1
SCHEMBL15295145 0.77 FOLH1 (0.49) FOLH1ALB

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-11639373-B2 Therapeutic and diagnostic agents for cancer Technische Universität München (DE) 2023-05-02 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-11639373-B2 Therapeutic and diagnostic agents for cancer CXCR4, CXCL12, CXCR3 FOLH1 87/4885ALB 4419/4885NPY4R 1353/4885

“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.