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SCHEMBL29311773

SCHEMBL29311773

CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2cncn2C)NC(=O)[C@@H](NC(=O)[C@H](CC2N=NN=N2)NC(=O)CC(C)C)[C@@H](C)O)C(c2ccccc2)c2ccccc2)CSSC[C@@H](C(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(C)=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.41
▸ KCNA3 P22001 1/20 0.39
▸ KCNA1 Q09470 1/20 0.39
▸ GLP1R P43220 10/20 0.39
▸ CCKBR P32239 1/20 0.38
▸ SSTR1 P30872 2/20 0.38
▸ SSTR2 P30874 2/20 0.38
▸ SSTR4 P31391 2/20 0.38
▸ SSTR3 P32745 2/20 0.38
▸ SSTR5 P35346 2/20 0.38
▸ PRLHR P49683 2/20 0.37
▸ INSR P06213 1/20 0.37
▸ TEAD1 P28347 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37

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
SCHEMBL29311858 0.94 KCNA3 (0.43) CXCR4KCNA3KCNA1PRLHRINSR
SCHEMBL29311844 0.91 APLNR (0.43) KCNA3KCNA1PRLHRINSRCSNK2A2
SCHEMBL29311757 0.89 CSNK2A2 (0.43) CXCR4PRLHRINSRCSNK2A2CSNK2B
SCHEMBL29311547 0.89 CSNK2A2 (0.43) CXCR4PRLHRINSRCSNK2A2CSNK2B
SCHEMBL29311793 0.88 KCNA3 (0.43) KCNA3KCNA1PRLHRINSRCSNK2A2
SCHEMBL29311576 0.87 VEGFA (0.44) PRLHRINSRCSNK2A2CSNK2BCSNK2A1
SCHEMBL26292602 0.86 RAMP3 (0.49) GLP1RPRLHRCSNK2A2CSNK2BCSNK2A1
SCHEMBL26305268 0.85 CXCR4 (0.48) CXCR4KCNA3KCNA1GLP1RPRLHR
SCHEMBL26307010 0.84 NPY2R (0.48) PRLHRINSRCSNK2A2CSNK2BCSNK2A1
SCHEMBL26292620 0.84 RAMP3 (0.47) PRLHRCSNK2A2CSNK2BCSNK2A1CSNK2A3

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-20240226225-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2024-07-11 — — 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-20240226225-A1 CONJUGATED HEPCIDIN MIMETICS HAMP, SLC40A1, FTH1 CXCR4 1675/4885KCNA3 3973/4885KCNA1 3590/4885

“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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