SCHEMBL13774280

SCHEMBL13774280

C=CCN(C(=O)NCc1ccc(OC)cc1)N1CC(=O)N2[C@@H](Cc3ccc(OC(=O)N(C)C)cc3)C(=O)N(Cc3cccc4ccccc34)C[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 0.49
▸ CLPP Q16740 3/20 0.48
▸ CTNNB1 P35222 2/20 0.47
▸ TCF7 P36402 2/20 0.47
▸ BCL9 O00512 1/20 0.47
▸ TCF4 P15884 1/20 0.47
▸ CREBBP Q92793 1/20 0.47

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
SCHEMBL14319386 0.96 CLPP (0.53) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14308239 0.95 CLPP (0.53) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL13774163 0.94 CLPP (0.48) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14308238 0.94 CLPP (0.55) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14308160 0.94 CLPP (0.55) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL17572531 0.93 CLPP (0.49) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL13773521 0.92 CLPP (0.56) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14309407 0.92 CLPP (0.50) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14319322 0.92 CLPP (0.50) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14308233 0.92 CLPP (0.50) 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 4 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
US-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders INSTITUTE FOR CHEMICAL GENOMICS 2008-01-10 — — US disclosed
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells INSTITUTE FOR CHEMICAL GENOMICS 2007-06-07 — — 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 (4 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-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders COL1A1, COL2A1, PLOD3 CYP3A4 4854/4885CLPP 2188/4885CTNNB1 513/4885
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 CYP3A4 1385/4885CLPP 4872/4885CTNNB1 1791/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO CYP3A4 4586/4885CLPP 2482/4885CTNNB1 101/4885
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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