SCHEMBL13487335

SCHEMBL13487335

CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCC(CCNC(C)(C)/C(C)=N/O)CCNC(C)(C)/C(C)=N/O)[C@H](C)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 7/20 0.54
▸ OPRM1 P35372 2/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ NPY2R P49146 7/20 0.50
▸ NPY4R P50391 7/20 0.50
▸ NPY5R Q15761 7/20 0.50
▸ NPY1R P25929 5/20 0.50
▸ F2 P00734 2/20 0.49
▸ IL23R Q5VWK5 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
SCHEMBL30531780 0.91 TFPI (0.53) TFPIOPRM1OPRD1OPRK1NPY2R
SCHEMBL13645144 0.84 NPY2R (0.48) TFPIOPRM1OPRD1OPRK1NPY2R
SCHEMBL19709273 0.78 KDM1A (0.60) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31745635 0.78 NPY2R (0.64) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29352561 0.77 KEAP1 (0.64) OPRM1OPRD1OPRK1F2
SCHEMBL19709276 0.77 KDM1A (0.61) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29405698 0.77 TFPI (0.70) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30607403 0.76 CALCR (0.67) TFPIOPRM1OPRD1OPRK1NPY2R
SCHEMBL31182783 0.76 CALCR (0.63) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31688332 0.76 OPRM1 (0.61) OPRM1OPRD1OPRK1F2

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-20100040542-A1 CHELATOR CONJUGATES GE HEALTHCARE LIMITED (GB) 2010-02-18 — — 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-20100040542-A1 CHELATOR CONJUGATES SLC40A1, TFRC, SLC39A3 TFPI 3708/4885OPRM1 4072/4885OPRD1 4583/4885

“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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