SCHEMBL4416640

SCHEMBL4416640

CC(C)(C)c1ccc(COC(=O)NN)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NAAA Q02083 1/20 0.56
ALDH1A1 P00352 3/20 0.54
NR2F2 P24468 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TRPV1 Q8NER1 1/20 0.49
NR4A2 P43354 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
MAPT P10636 2/20 0.47
TGM2 P21980 1/20 0.46
EPHX2 P34913 3/20 0.45
NR1H4 Q96RI1 2/20 0.45
LMNA P02545 1/20 0.45
ESRRG P62508 1/20 0.44

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
SCHEMBL18563625 0.82 MEN1 (0.59) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA
SCHEMBL18583958 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA
SCHEMBL11722992 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1LMNA
SCHEMBL1788828 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA
SCHEMBL1788830 0.79 NR4A2 (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA
SCHEMBL2092731 0.79 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA
SCHEMBL20015915 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA
SCHEMBL669426 0.78 ALDH1A1 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL3363931 0.77 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA
SCHEMBL13686641 0.77 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1NAAA

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
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD SMN1; SMN2 4345/4885MEN1 4880/4885KMT2A 3230/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD SMN1; SMN2 4364/4885MEN1 4873/4885KMT2A 3695/4885

“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.