SCHEMBL1132913

SCHEMBL1132913

COc1ccccc1CC1(C)NC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
DAO P14920 1/20 0.41
IDO1 P14902 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADAM17 P78536 4/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM9 Q13443 1/20 0.39

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
SCHEMBL2893907 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1ALDH1A1DAOADAM17
SCHEMBL7097777 0.74 ALDH1A1 (0.60) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL15972776 0.74 ALDH1A1 (0.60) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL542982 0.70 KMT2A (0.49)
SCHEMBL1108471 0.67 ALDH1A1 (0.52) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL14945759 0.67 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1ALDH1A1TAAR1MMP2
SCHEMBL17939 0.66 IDO1 (0.59) NPSR1ALDH1A1HTTIDO1MTNR1A
SCHEMBL8105572 0.66 IDO1 (0.42) ALDH1A1HTTDAOIDO1TAAR1
SCHEMBL2673236 0.66 MAPT (0.50) ALDH1A1IDO1TAAR1CHRM2CHRM1
SCHEMBL1358880 0.65 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP1

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 SMN1; SMN2 4472/4885NPSR1 3262/4885ALDH1A1 930/4885

“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.