SCHEMBL19981038

SCHEMBL19981038

N#CCCOCOCO[C@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)COc3ccccc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ADORA2A P29274 4/20 0.39
ADORA2B P29275 3/20 0.39
ADORA1 P30542 3/20 0.39
HINT1 P49773 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
IMPDH2 P12268 1/20 0.37

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
SCHEMBL15850633 1.00 TAS1R3 (0.43) TAS1R3TAS1R1HPGDKDM4EADORA2A
SCHEMBL14727516 1.00 TAS1R3 (0.43) TAS1R3TAS1R1HPGDKDM4EADORA2A
SCHEMBL20215732 1.00 TAS1R3 (0.43) TAS1R3TAS1R1HPGDKDM4EADORA2A
SCHEMBL17853311 0.94 TAS1R3 (0.44) TAS1R3TAS1R1KDM4EADORA2BADORA1
SCHEMBL15892169 0.94 TAS1R3 (0.44) TAS1R3TAS1R1KDM4EADORA2BADORA1
SCHEMBL19407917 0.84 TAS1R3 (0.52) TAS1R3TAS1R1HPGDADORA2AADORA2B
SCHEMBL30400675 0.83 TAS1R3 (0.60) TAS1R3TAS1R1HPGDADORA2AADORA2B
SCHEMBL15841335 0.82 HINT1 (0.52) TAS1R3TAS1R1HINT1
SCHEMBL15105535 0.81 TYMP (0.39) TAS1R3TAS1R1HPGDKDM4EADORA2B
SCHEMBL16002737 0.81 TAS1R3 (0.43) TAS1R3TAS1R1HPGDADORA2AADORA2B

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-10377788-B2 Method for producing glycoside compounds BONAC CORPORATION (JP) 2019-08-13 US disclosed
US-20180079768-A1 METHOD FOR PRODUCING GLYCOSIDE COMPOUNDS BONAC CORPORATION (JP) 2018-03-22 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 (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-10377788-B2 Method for producing glycoside compounds TST, DIMT1, DERA TAS1R3 1804/4885TAS1R1 2024/4885HPGD 3794/4885
US-20180079768-A1 METHOD FOR PRODUCING GLYCOSIDE COMPOUNDS TST, DIMT1, DERA TAS1R3 1804/4885TAS1R1 2024/4885HPGD 3794/4885

“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.