SCHEMBL14453776

SCHEMBL14453776

CCC(C)C(NC(=O)C(CS)NC(=O)CCCNC(=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 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.49
▸ NTSR2 O95665 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ NPBWR1 P48145 2/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ NPY1R P25929 2/20 0.39
▸ ANPEP P15144 2/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.39
▸ IL23R Q5VWK5 2/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ VIPR1 P32241 1/20 0.38
▸ VIPR2 P41587 1/20 0.38
▸ CHRND Q07001 2/20 0.38

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 0.94 F2 (0.46) F2NTSR2NTSR1OPRD1ANPEP
SCHEMBL14453771 0.94 F2 (0.45) F2NTSR2NTSR1OPRD1ANPEP
SCHEMBL14453784 0.92 NPY1R (0.45) F2NPY1RANPEPLNPEPIL23R
SCHEMBL14453781 0.89 F2 (0.41) F2NTSR2NTSR1OPRD1NPY1R
SCHEMBL14453773 0.89 F2 (0.41) F2NTSR2NTSR1OPRD1NPY1R
SCHEMBL14453778 0.89 F2 (0.41) F2NTSR2NTSR1OPRD1NPY1R
SCHEMBL13160647 0.83 FYN (0.42) ANPEPLNPEP
SCHEMBL13160651 0.77 F2 (0.36) F2NTSR2NTSR1NPBWR1OPRD1
SCHEMBL13160649 0.76 SRC (0.45) —
SCHEMBL14472337 0.70 HDAC1 (0.52) —

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 3158/4885NTSR2 1500/4885NTSR1 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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