SCHEMBL480266

SCHEMBL480266

CC(C)(C)OC(=O)Nc1cccc(OCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
PKM P14618 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
FFAR1 O14842 2/20 0.49
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.47
AHR P35869 1/20 0.47

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
SCHEMBL6470532 0.86 HTT (0.58) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9342841 0.86 MAPK1 (0.68) MAPK1PKMHTTSMN1; SMN2NPC1
SCHEMBL7475639 0.86 SMN1; SMN2 (0.56) MAPK1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL29910262 0.84 PDK1 (0.65) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL22920172 0.84 PDK1 (0.65) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL595191 0.84 FAAH (0.51) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL3616219 0.83 MAPT (0.57) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7861824 0.83 FAAH (0.50) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL21768037 0.83 THRB (0.51) MAPK1PKMHTTSMN1; SMN2NPC1
SCHEMBL29351023 0.83 MEN1 (0.53) HTTSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 US disclosed
US-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 US disclosed
US-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 US disclosed
EP-2410856-A1 DIAMINOPTERIDINE DERIVATIVES Biorelix, Inc. (US) 2012-02-01 EP disclosed
WO-2010110907-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. (US) 2010-09-30 WO disclosed
WO-2010110907-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. (US) 2010-09-30 WO disclosed
WO-2006044961-A1 PPAR-GAMMA MODULATORES SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO disclosed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 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-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES MPO, AOC1, DCTD MAPK1 3619/4885PKM 2174/4885HTT 4008/4885

“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.