SCHEMBL29814926

SCHEMBL29814926

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.50
▸ RAMP3 O60896 6/20 0.47
▸ CALCR P30988 6/20 0.47
▸ VIPR1 P32241 2/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ ECE1 P42892 1/20 0.46
▸ GLP1R P43220 1/20 0.46
▸ MUS81 Q96NY9 1/20 0.46
▸ VIPR2 P41587 1/20 0.45
▸ OPRL1 P41146 1/20 0.45

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
SCHEMBL30435760 0.88 TFPI (0.52) TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL29689157 0.88 NPY4R (0.47) OPRM1OPRD1OPRK1
SCHEMBL30432032 0.88 OPRL1 (0.48) TFPIRAMP3CALCRVIPR1ECE1
SCHEMBL30786594 0.87 NPY4R (0.47) VIPR1VIPR2
SCHEMBL29940169 0.87 TFPI (0.51) TFPIRAMP3CALCRVIPR1OPRM1
SCHEMBL30262036 0.87 VIPR1 (0.52) TFPIVIPR1VIPR2
SCHEMBL30974563 0.86 TFPI (0.51) TFPI
SCHEMBL30571160 0.86 TFPI (0.51) TFPIRAMP3CALCRVIPR1OPRM1
SCHEMBL30880884 0.86 VIPR1 (0.46) VIPR1ECE1GLP1RMUS81VIPR2
SCHEMBL30520096 0.85 RAMP3 (0.47) TFPIRAMP3CALCRECE1GLP1R

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-20220242964-A1 COMPOSITIONS AND METHODS FOR REGULATING ERYTHROPOIESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2022-08-04 — — 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-20220242964-A1 COMPOSITIONS AND METHODS FOR REGULATING ERYTHROPOIESIS EPOR, CD47, CD44 TFPI 4613/4885RAMP3 2326/4885CALCR 1693/4885

“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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