SCHEMBL14453773

SCHEMBL14453773

CCC(C)C(NC(=O)C(CS)NC(C)=O)C(=O)NC(Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(N)ncnc32)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.41
▸ NTSR1 P30989 4/20 0.40
▸ NTSR2 O95665 3/20 0.40
▸ SRC P12931 2/20 0.39
▸ OPRD1 P41143 3/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ SORT1 Q99523 2/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ IL23R Q5VWK5 2/20 0.37

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
SCHEMBL14453778 1.00 F2 (0.41) F2NTSR1NTSR2SRCOPRD1
SCHEMBL14453781 1.00 F2 (0.41) F2NTSR1NTSR2SRCOPRD1
SCHEMBL14453772 0.93 F2 (0.46) F2NTSR1NTSR2OPRD1SORT1
SCHEMBL14453784 0.91 NPY1R (0.45) F2NPY1RIL23R
SCHEMBL14453771 0.90 F2 (0.45) F2NTSR1NTSR2OPRD1
SCHEMBL14453776 0.89 F2 (0.49) F2NTSR1NTSR2OPRD1NPY1R
SCHEMBL13160649 0.88 SRC (0.45) SRC
SCHEMBL13160647 0.81 FYN (0.42) SRC
SCHEMBL13183487 0.81 SRC (0.47) SRC
SCHEMBL13160651 0.78 F2 (0.36) F2NTSR1NTSR2OPRD1OPRM1

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 3158/4885NTSR1 1145/4885NTSR2 1500/4885

“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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