SCHEMBL12696372

SCHEMBL12696372

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL14788609 0.78 GAA (0.43) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14788457 0.78 C5AR1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL14788566 0.76 MEN1 (0.66) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL29864762 0.75 GPX4 (0.49) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14788388 0.75 GPX4 (0.49) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14788325 0.71 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL14786950 0.69 KEAP1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL9833231 0.68 PPARG (0.46) GAANPC1RAB9AMEN1KMT2A
SCHEMBL11217828 0.67 PDK2 (0.47) GAASMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL14788482 0.66 LMNA (0.42) GAASMN1; SMN2NPC1RAB9AMEN1

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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — US disclosed
WO-2012129452-A2 PROPYNOIC ACID CARBAMOYL METHYL-ALMIDES AND PHARMACEUTICAL COMPOSITIONS AND METHODS BASED THEREON UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-09-27 — — WO 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 ATM 2199/4885GAA 2437/4885SMN1; SMN2 3101/4885

“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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