SCHEMBL13774130

SCHEMBL13774130

CCCN(C(=O)NCc1ccccc1)N1CC(=O)N2C1CN(Cc1cc(F)ccc1F)C(=O)[C@@H]2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.37
▸ CLPP Q16740 13/20 0.36
▸ RIPK1 Q13546 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL14309925 1.00 SIGMAR1 (0.37) SIGMAR1CLPPRIPK1TSHRMEN1
SCHEMBL14319247 0.94 SIGMAR1 (0.37) SIGMAR1CLPPTSHRMEN1KMT2A
SCHEMBL17572558 0.93 CLPP (0.39) CLPPSIRT5ALDH1A1
SCHEMBL14308273 0.90 KMT2A (0.37) SIGMAR1CLPPMEN1KMT2ASIRT5
SCHEMBL14309465 0.90 SIRT5 (0.39) CLPPTSHRMEN1KMT2ASIRT5
SCHEMBL13774133 0.90 CLPP (0.45) CLPP
SCHEMBL13774093 0.89 SIGMAR1 (0.39) SIGMAR1CLPPRIPK1TSHRMEN1
SCHEMBL14309966 0.89 SIGMAR1 (0.36) SIGMAR1CLPPRIPK1TSHRMEN1
SCHEMBL14309917 0.89 CLPP (0.39) CLPPMEN1KMT2ASIRT5
SCHEMBL14319234 0.88 CLPP (0.35) CLPPSIRT5

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 SIGMAR1 85/4885CLPP 4872/4885RIPK1 1896/4885
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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