SCHEMBL13774093

SCHEMBL13774093

CN(C(=O)NCc1ccccc1)N1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(Cc3cc(F)ccc3F)C[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ CLPP Q16740 11/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KIF11 P52732 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ TCF7 P36402 1/20 0.34

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
SCHEMBL14503911 0.94 BACE1 (0.39) SIGMAR1CLPPTSHRMEN1KMT2A
SCHEMBL17572699 0.92 CLPP (0.39) CLPPKMT2AALDH1A1CTNNB1TCF7
SCHEMBL14308200 0.90 KMT2A (0.39) SIGMAR1CLPPMEN1KMT2AALDH1A1
SCHEMBL14309463 0.90 KMT2A (0.41) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL13774130 0.89 SIGMAR1 (0.37) SIGMAR1CLPPRIPK1TSHRMEN1
SCHEMBL14309925 0.89 SIGMAR1 (0.37) SIGMAR1CLPPRIPK1TSHRMEN1
SCHEMBL13774234 0.89 CLPP (0.48) CLPPCTNNB1TCF7
SCHEMBL14319224 0.88 CLPP (0.36) CLPPALDH1A1CTNNB1TCF7
SCHEMBL14309930 0.88 CLPP (0.39) CLPPMEN1KMT2AALDH1A1GAA
SCHEMBL14309433 0.88 CACNA1G (0.41) CLPPTSHRMEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957516-B1 ALFA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORP (KR) 2016-03-09 — — EP disclosed
US-20140209874-A1 ORGANIC LIGHT EMITTING DIODE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 — — US disclosed
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 SIGMAR1 2975/4885CLPP 2188/4885RIPK1 2376/4885
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 SIGMAR1 85/4885CLPP 4872/4885RIPK1 1896/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO SIGMAR1 3670/4885CLPP 2482/4885RIPK1 3485/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 SIGMAR1 80/4885CLPP 4874/4885RIPK1 1680/4885

“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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