SCHEMBL30905693

SCHEMBL30905693

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TFPI P10646 1/20 0.54
PTH1R Q03431 4/20 0.47
KEAP1 Q14145 1/20 0.47
CXCR4 P61073 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
NPY1R P25929 2/20 0.44
NPY2R P49146 2/20 0.44
NPY4R P50391 2/20 0.44
NPY5R Q15761 2/20 0.44
VIPR1 P32241 1/20 0.44
ECE1 P42892 1/20 0.44
GLP1R P43220 1/20 0.44
MUS81 Q96NY9 1/20 0.44

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
SCHEMBL30905699 0.99 TFPI (0.53) TFPIPTH1RKEAP1CXCR4RXFP1
SCHEMBL30512599 0.96 TFPI (0.56) TFPIPTH1RKEAP1CXCR4RXFP1
SCHEMBL30140825 0.91 TFPI (0.52) TFPIKEAP1RXFP1NPY1RNPY2R
SCHEMBL30262134 0.91 TFPI (0.56) TFPIPTH1RKEAP1RXFP1NPY1R
SCHEMBL30084577 0.90 TFPI (0.48) TFPIKEAP1RXFP1NPY1RNPY2R
SCHEMBL30974514 0.90 TFPI (0.54) TFPIPTH1RRXFP1NPY1RNPY2R
SCHEMBL30905707 0.89 GRIN2D (0.46) TFPIPTH1RKEAP1
SCHEMBL31343200 0.89 NPY4R (0.47) TFPIKEAP1CXCR4NPY1RNPY2R
SCHEMBL30262158 0.89 RXFP1 (0.56) TFPIPTH1RRXFP1VIPR1ECE1
SCHEMBL31343254 0.89 TFPI (0.53) TFPIPTH1RKEAP1RXFP1VIPR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206802-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2025-06-26 US disclosed
US-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-04-11 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 (2 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-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 TFPI 946/4885PTH1R 516/4885KEAP1 4762/4885
US-20250206802-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 TFPI 946/4885PTH1R 516/4885KEAP1 4762/4885

“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.