SCHEMBL147564

SCHEMBL147564

COc1c(Cc2ccc(-c3cccc(C#N)n3)s2)cc(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.33
ACACA Q13085 2/20 0.32
CTSS P25774 2/20 0.32
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL147566 0.84 ACACA (0.34) ACACA
SCHEMBL9973953 0.80 ADORA2A (0.42) ADORA2AADORA1ALDH1A1LMNA
SCHEMBL147375 0.77 ADORA2A (0.38) ADORA2ACTSSMAPT
SCHEMBL146763 0.73 ADORA2A (0.36) ADORA2AADORA1CTSSMAPTLMNA
SCHEMBL147507 0.73 ALDH1A1 (0.37) MAPTALDH1A1
SCHEMBL10160856 0.71 KMT2A (0.40) ADORA2ACTSSMAPTALDH1A1
SCHEMBL147528 0.70 MEN1 (0.33) ACACA
SCHEMBL10130820 0.70 IDH1 (0.40) ADORA2ACTSSALDH1A1
SCHEMBL22782191 0.65 ADORA2A (0.33) ADORA2ACTSS
SCHEMBL148120 0.65 SLC5A2 (0.36) MAPT

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-20120058941-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-08 US disclosed
US-20120058941-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-08 US 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-20120058941-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 ADORA2A 1452/4885ADORA1 1209/4885ACACA 2175/4885

“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.