SCHEMBL13774119

SCHEMBL13774119

C#CCN(C(=O)NCc1ccc(Cl)c(Cl)c1)N1CC(=O)N2[C@@H](Cc3ccc(NC(=O)c4cccc5ccccc45)cc3)C(=O)N(Cc3ccccc3/N=C(/N)SC)C[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 17/20 0.39
▸ CLPP Q16740 2/20 0.39
▸ CTNNB1 P35222 2/20 0.38
▸ TCF7 P36402 2/20 0.38
▸ BCL9 O00512 1/20 0.38
▸ TCF4 P15884 1/20 0.38
▸ CREBBP Q92793 1/20 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
SCHEMBL14319212 0.91 CLPP (0.47) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL13774015 0.86 CLPP (0.47) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14504380 0.86 CLPP (0.39) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14309349 0.85 CLPP (0.47) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL13773676 0.84 CLPP (0.47) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14319320 0.84 CLPP (0.55) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14309371 0.84 CLPP (0.47) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL13773785 0.83 CLPP (0.49) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14309831 0.83 CLPP (0.54) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14310059 0.83 CLPP (0.48) CYP3A4CLPPCTNNB1TCF7BCL9

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-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-07-09 — — US disclosed
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-10-02 — — 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-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 CYP3A4 1385/4885CLPP 4872/4885CTNNB1 1791/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 CYP3A4 1580/4885CLPP 4874/4885CTNNB1 1661/4885

“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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