SCHEMBL14788496

SCHEMBL14788496

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPX4 P36969 8/20 0.49
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ YAP1 P46937 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ TEAD4 Q15561 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL14788388 0.91 GPX4 (0.49) GPX4LMNANPSR1SMN1; SMN2NPC1
SCHEMBL29864762 0.91 GPX4 (0.49) GPX4LMNANPSR1SMN1; SMN2NPC1
SCHEMBL29172532 0.81 GPX4 (0.43) GPX4LMNANPSR1SMN1; SMN2NPC1
SCHEMBL14788390 0.80 GPX4 (0.54) GPX4LMNANPSR1SMN1; SMN2NPC1
SCHEMBL14788457 0.77 C5AR1 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1TP53
SCHEMBL27264728 0.75 GPX4 (0.70) GPX4LMNANPSR1SMN1; SMN2NPC1
SCHEMBL12639686 0.71 POLB (0.53) GPX4LMNANPSR1SMN1; SMN2MAPT
SCHEMBL14788327 0.71 LMNA (0.47) GPX4LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL14788385 0.69 CYP1A2 (0.49) GPX4LMNANPSR1SMN1; SMN2MAPT
SCHEMBL27264598 0.69 GPX4 (0.74) GPX4LMNANPSR1SMN1; SMN2NPC1

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 GPX4 2413/4885LMNA 1318/4885NPSR1 3244/4885

“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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