SCHEMBL1133249

SCHEMBL1133249

COc1ccccc1CC(C)(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.46
IDO1 P14902 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 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
SCHEMBL28394362 0.84 IDO1 (0.44) IDO1TAAR1KMT2AMEN1NPC1
SCHEMBL28948497 0.84 SMN1; SMN2 (0.47) IDO1TAAR1KMT2AMEN1NPC1
SCHEMBL4460773 0.83 HIF1A (0.49) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL7280783 0.82 CYP2C9 (0.53) BLMIDO1KMT2AMEN1HPGD
SCHEMBL7280790 0.82 CYP2C9 (0.53) BLMIDO1KMT2AMEN1HPGD
SCHEMBL8873840 0.81 BCHE (0.55) KMT2AMEN1LMNAL3MBTL1
SCHEMBL8873833 0.81 BCHE (0.55) KMT2AMEN1LMNAL3MBTL1
SCHEMBL8873826 0.81 BCHE (0.55) KMT2AMEN1LMNAL3MBTL1
SCHEMBL12266005 0.81 MEN1 (0.46) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL6718555 0.80 HSD17B10 (0.59) IDO1TAAR1KMT2AMEN1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993800-B2 Process for producing optically active α-methylcysteine derivative KANEKA CORPORATION (JP) 2015-03-31 US disclosed
EP-2287152-B1 Process for producing optically active alpha-methylcysteine derivative KANEKA CORP (JP) 2015-01-14 EP disclosed
US-20130261331-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-METHYLCYSTEINE DERIVATIVE KANEKA CORP (JP) 2013-10-03 US disclosed
EP-2287152-A2 Process for producing optically active alpha-methylcysteine derivative KANEKA CORPORATION (JP) 2011-02-23 EP disclosed
US-20100197934-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-METHYLCYSTEINE DERIVATIVE KANEKA CORPORATION (JP) 2010-08-05 US disclosed
US-20060105435-A1 Process for producing optically active alpha-methylcysteine derivative KANEKA CORPORATION (JP) 2006-05-18 US disclosed
EP-1550725-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE alpha-METHYLCYSTEINE DERIVATIVE KANEKA CORPORATION (JP) 2005-07-06 EP 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-20100197934-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-METHYLCYSTEINE DERIVATIVE AHCY, CTH, BHMT BLM 4277/4885IDO1 1209/4885TAAR1 4239/4885

“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.