SCHEMBL14788327

SCHEMBL14788327

C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NCC(=O)NCCN1CCOCC1)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ GPX4 P36969 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14788390 0.82 GPX4 (0.54) LMNAKMT2AGPX4ALDH1A1POLB
SCHEMBL14788388 0.79 GPX4 (0.49) LMNAKMT2AGPX4ALDH1A1POLB
SCHEMBL29864762 0.79 GPX4 (0.49) LMNAKMT2AGPX4ALDH1A1POLB
SCHEMBL27264728 0.78 GPX4 (0.70) LMNAKMT2AGPX4ALDH1A1POLB
SCHEMBL12639686 0.75 POLB (0.53) LMNAKMT2AGPX4CYP2C9CYP2C19
SCHEMBL14788496 0.71 GPX4 (0.49) LMNAKMT2AGPX4ALDH1A1POLB
SCHEMBL14788386 0.71 CYP1A2 (0.47) LMNAKMT2AGPX4CYP2C9CYP2C19
SCHEMBL29172532 0.70 GPX4 (0.43) LMNAKMT2AGPX4ALDH1A1POLB
SCHEMBL12639691 0.69 POLB (0.54) LMNAMAPK1KMT2AGPX4CYP2C9
SCHEMBL12696355 0.67 C5AR1 (0.42) KMT2AGPX4ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — 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 (1 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 LMNA 1318/4885MAPK1 2163/4885KMT2A 210/4885

“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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