SCHEMBL13774086

SCHEMBL13774086

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 2/20 0.46
▸ CTNNB1 P35222 3/20 0.45
▸ TCF7 P36402 2/20 0.45
▸ TCF4 P15884 2/20 0.45
▸ BCL9 O00512 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ CYP3A4 P08684 16/20 0.45

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 0.93 CLPP (0.53) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL13773557 0.92 CLPP (0.48) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL13774280 0.92 CYP3A4 (0.49) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL13774163 0.91 CLPP (0.48) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL14309353 0.91 CLPP (0.50) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL13773568 0.91 CLPP (0.47) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL17572676 0.90 CLPP (0.56) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL13773803 0.90 CLPP (0.47) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL13774025 0.90 CYP3A4 (0.47) CLPPCTNNB1TCF7TCF4BCL9
SCHEMBL14310122 0.90 CLPP (0.49) CLPPCTNNB1TCF7TCF4BCL9

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CLPP 2188/4885CTNNB1 513/4885TCF7 1040/4885
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 CLPP 4872/4885CTNNB1 1791/4885TCF7 1456/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 CLPP 4874/4885CTNNB1 1661/4885TCF7 1366/4885

“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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