SCHEMBL22787253

SCHEMBL22787253

C#CCCOP(OC1C(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)OC(n2cnc3c(=O)[nH]c(NC(=O)COc4ccc(C(C)C)cc4)nc32)C1OC)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.42
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NT5E P21589 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL22787252 0.92 TYMP (0.42) TYMPTAS1R3TAS1R1NT5EHPGD
SCHEMBL916676 0.86 TYMP (0.42) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL24433797 0.86 TYMP (0.42) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL24548715 0.86 TYMP (0.42) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL25569964 0.86 TYMP (0.42) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL668619 0.86 TYMP (0.45) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL23138150 0.86 TYMP (0.45) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL22960797 0.86 TYMP (0.41) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL18787574 0.85 TYMP (0.42) TYMPADORA3ADORA2BADORA1
SCHEMBL12513080 0.84 TYMP (0.40) TYMPTAS1R3TAS1R1KDM4ENT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS SOLSTICE BIOLOGICS LTD (IE) 2020-12-17 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-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 TYMP 190/4885TAS1R3 3536/4885TAS1R1 4105/4885

“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.