SCHEMBL16508093

SCHEMBL16508093

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](C)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.63
▸ KISS1R Q969F8 3/20 0.58
▸ KEAP1 Q14145 1/20 0.58
▸ IL23R Q5VWK5 3/20 0.57
▸ NPY4R P50391 5/20 0.56
▸ NPY1R P25929 4/20 0.56
▸ NPY2R P49146 4/20 0.56
▸ NPY5R Q15761 4/20 0.56
▸ GLP1R P43220 1/20 0.56
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56
▸ VIPR1 P32241 2/20 0.56
▸ VIPR2 P41587 1/20 0.56

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
SCHEMBL16508147 0.97 TFPI (0.61) TFPIKISS1RKEAP1NPY4RNPY1R
SCHEMBL16507968 0.95 NPY4R (0.60) TFPIKEAP1IL23RNPY4RNPY1R
SCHEMBL16507918 0.94 NPY4R (0.61) TFPIKEAP1IL23RNPY4RNPY1R
SCHEMBL16507938 0.92 NPY5R (0.62) TFPIKEAP1IL23RNPY4RNPY1R
SCHEMBL16508111 0.92 TFPI (0.62) TFPIKISS1RKEAP1IL23RNPY4R
SCHEMBL16507944 0.92 NPY5R (0.62) TFPIKEAP1IL23RNPY4RNPY1R
SCHEMBL16508143 0.92 TFPI (0.62) TFPIKISS1RKEAP1IL23RNPY4R
SCHEMBL16508074 0.92 IL23R (0.55) TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL16507943 0.92 TFPI (0.57) TFPIKISS1RKEAP1IL23RNPY4R
SCHEMBL16508108 0.91 NPY4R (0.57) KISS1RIL23RNPY4RNPY1RNPY2R

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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 — — 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR TFPI 2646/4885KISS1R 571/4885KEAP1 3576/4885

“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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