SCHEMBL14453771

SCHEMBL14453771

CCC(C)C(NC(=O)C(CS)NC(=O)CNC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.45
▸ OPRD1 P41143 4/20 0.43
▸ NTSR1 P30989 3/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL14453772 0.96 F2 (0.46) F2OPRD1NTSR1NTSR2ANPEP
SCHEMBL14453776 0.94 F2 (0.49) F2OPRD1NTSR1NTSR2ANPEP
SCHEMBL14453781 0.90 F2 (0.41) F2OPRD1NTSR1NTSR2
SCHEMBL14453773 0.90 F2 (0.41) F2OPRD1NTSR1NTSR2
SCHEMBL14453778 0.90 F2 (0.41) F2OPRD1NTSR1NTSR2
SCHEMBL14453784 0.90 NPY1R (0.45) F2ANPEPLNPEP
SCHEMBL13160647 0.84 FYN (0.42) ANPEPLNPEP
SCHEMBL13160651 0.79 F2 (0.36) F2OPRD1NTSR1NTSR2
SCHEMBL13160649 0.78 SRC (0.45) —
SCHEMBL30168717 0.73 F2 (0.55) F2

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-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS RHODE ISLAND BOARD OF EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS 2007-07-26 — — US disclosed
US-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS RHODE ISLAND BOARD OF EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS 2007-07-26 — — 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-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS DSTYK, SRC, PTK2B F2 3158/4885OPRD1 3581/4885NTSR1 1145/4885

“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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