SCHEMBL6883237

SCHEMBL6883237

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.62
RPS6KA3 P51812 3/20 0.62
MAPK14 Q16539 3/20 0.62
PNP P00491 2/20 0.62
HINT1 P49773 6/20 0.59
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
P2RX3 P56373 1/20 0.53
P2RX4 Q99571 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
TAAR1 Q96RJ0 1/20 0.49
NT5E P21589 1/20 0.49
ALDH1A1 P00352 2/20 0.48
P2RY11 Q96G91 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL4414395 0.94 GSK3A (0.60) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL8202770 0.94 GSK3A (0.60) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL13597934 0.94 GSK3A (0.60) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL16870493 0.91 TAS1R3 (0.57) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL794488 0.90 TAS1R3 (0.55) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL22337354 0.88 HINT1 (0.56) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL26809512 0.88 HINT1 (0.56) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL22337046 0.88 HINT1 (0.56) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL5219707 0.88 GSK3A (0.80) GSK3ARPS6KA3MAPK14PNPHINT1
SCHEMBL13022843 0.86 MEN1 (0.56) GSK3ARPS6KA3MAPK14PNPHINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171482-A1 DEACYLATION OF CARBOHYDRATE COMPOUNDS UNIVERSITY OF SOUTH ALABAMA 2025-05-29 US disclosed
EP-2707483-B1 METHODS AND MATERIALS FOR NUCLEIC ACID MANIPULATION RWTH AACHEN UNIV (DE) 2017-10-18 EP disclosed
US-20120295311-A1 Methods and Materials for Nucleic Acid Manipulation BASF SE (DE) 2012-11-22 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 US disclosed
US-20040241706-A1 Highly specific modulators of GTPases for target validation IRM, LLC 2004-12-02 US disclosed
WO-2004024082-A2 HIGHLY SPECIFIC MODULATORS OF GTPASES FOR TARGET VALIDATION IRM, LLC (GB) 2004-03-25 WO 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-20040241706-A1 Highly specific modulators of GTPases for target validation CDC42, ARHGDIB, ARHGEF2 GSK3A 4145/4885RPS6KA3 459/4885MAPK14 1487/4885
US-20250171482-A1 DEACYLATION OF CARBOHYDRATE COMPOUNDS FUT5, DDOST, TREH GSK3A 1444/4885RPS6KA3 2080/4885MAPK14 1743/4885

“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.