SCHEMBL16507759

SCHEMBL16507759

C[C@H](NC(=O)[C@@H](C)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.50
▸ OPRL1 P41146 5/20 0.47
▸ IL23R Q5VWK5 4/20 0.45
▸ KEAP1 Q14145 2/20 0.43
▸ VIPR1 P32241 1/20 0.43

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
SCHEMBL16508127 0.91 TFPI (0.51) TFPIOPRL1IL23RKEAP1VIPR1
SCHEMBL16507872 0.86 IL23R (0.45) TFPIOPRL1IL23R
SCHEMBL30432032 0.86 OPRL1 (0.48) TFPIOPRL1VIPR1
SCHEMBL16508548 0.85 SIRT5 (0.44) TFPIOPRL1IL23R
SCHEMBL16508436 0.85 SIRT5 (0.44) TFPIIL23R
SCHEMBL16507939 0.84 GLP1R (0.46) TFPIOPRL1
SCHEMBL16507960 0.84 GLP1R (0.46) TFPIOPRL1
SCHEMBL16507786 0.84 GLP1R (0.46) TFPIOPRL1
SCHEMBL16507873 0.84 GLP1R (0.45) TFPIOPRL1
SCHEMBL16507777 0.83 OPRL1 (0.46) TFPIOPRL1

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 2646/4885OPRL1 335/4885IL23R 1779/4885

“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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