SCHEMBL13402776

SCHEMBL13402776

CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)C1CCCN1C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 8/20 0.46
▸ EP300 Q09472 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ NPY2R P49146 4/20 0.42
▸ NPY4R P50391 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ NPY1R P25929 3/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ KDM1A O60341 1/20 0.42

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
SCHEMBL13402784 0.88 TFPI (0.51) TFPIEP300HIF1ANPY2RNPY4R
SCHEMBL16326684 0.88 TFPI (0.51) TFPIEP300HIF1ANPY2RNPY4R
SCHEMBL13402781 0.78 TFPI (0.45) TFPIEP300HIF1ANPY2RNPY4R
SCHEMBL31437204 0.75 EPHA2 (0.48) CXCR4
SCHEMBL29693008 0.75 OPRM1 (0.50) MAPK8MAPK9MAPK10
SCHEMBL30540072 0.74 OPRM1 (0.50) —
SCHEMBL31437206 0.73 EPHA2 (0.47) TFPIMAPK8MAPK9MAPK10CXCR4
SCHEMBL31437173 0.73 EPHA2 (0.47) TFPIMAPK8MAPK9MAPK10CXCR4
SCHEMBL31437170 0.73 EPHA2 (0.44) CXCR4KDM1A
SCHEMBL31321048 0.73 REN (0.45) —

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-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 — — 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-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation EPOR, LIFR, LNPEP TFPI 4255/4885EP300 4604/4885HIF1A 91/4885

“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.

Send feedback