SCHEMBL29311858

SCHEMBL29311858

CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)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 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.43
▸ KCNA1 Q09470 1/20 0.43
▸ APLNR P35414 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ NPY2R P49146 3/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.41
▸ VEGFA P15692 6/20 0.41
▸ PRLHR P49683 1/20 0.41
▸ NPFFR2 Q9Y5X5 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL29311844 0.97 APLNR (0.43) KCNA3KCNA1APLNRINSRNPY2R
SCHEMBL29311757 0.95 CSNK2A2 (0.43) APLNRINSRNPY2RCSNK2A2CSNK2B
SCHEMBL29311547 0.95 CSNK2A2 (0.43) APLNRINSRNPY2RCSNK2A2CSNK2B
SCHEMBL29311793 0.94 KCNA3 (0.43) KCNA3KCNA1APLNRINSRNPY2R
SCHEMBL29311773 0.94 CXCR4 (0.41) KCNA3KCNA1INSRCSNK2A2CSNK2B
SCHEMBL29311576 0.93 VEGFA (0.44) INSRCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL26292602 0.92 RAMP3 (0.49) NPY2RCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL26307010 0.91 NPY2R (0.48) INSRNPY2RCSNK2A2CSNK2BCSNK2A1
SCHEMBL26292620 0.90 RAMP3 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3CTNNB1
SCHEMBL26292629 0.90 RAMP3 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3CTNNB1

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 KCNA3 3973/4885KCNA1 3590/4885APLNR 28/4885

“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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