SCHEMBL6234136

SCHEMBL6234136

COCCO[C@@H]1[C@H](OP(OCC[Si](C)(c2ccccc2)c2ccccc2)N(C(C)C)C(C)C)[C@@H](C(OC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)C(C)C)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
TYMP P19971 1/20 0.39
HPGD P15428 1/20 0.39
HINT1 P49773 9/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
KRAS P01116 6/20 0.34

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
SCHEMBL6231468 0.88 TAAR1 (0.37) TAAR1TYMPHPGDHINT1
SCHEMBL6231869 0.87 TAAR1 (0.41) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL6831440 0.85 TYMP (0.48) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL6238364 0.83 P2RX3 (0.37) TYMP
SCHEMBL2108084 0.82 HPGD (0.38) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL9320640 0.81 TAAR1 (0.44) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL2107681 0.81 HPGD (0.37) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL15878701 0.80 HPGD (0.36) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL17599828 0.79 TYMP (0.49) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL6234928 0.79 ST6GAL1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948514-B1 METHOD FOR THE SYNTHESIS OF NUCLEOTIDE OR OLIGONUCLEOTIDE PHOSPHORAMIDITES ISIS PHARMACEUTICALS INC (US) 2005-04-27 EP disclosed
US-20030013864-A1 Method for the synthesis of nucleotide of oligonucleotide phosphoramidites GRIFFEY RICHARD H (US) 2003-01-16 US disclosed
US-6441150-B1 GENETIC ENGINEERING ISIS PHARMACEUTICALS, INC. 2002-08-27 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-20030013864-A1 Method for the synthesis of nucleotide of oligonucleotide phosphoramidites NUDT1, MTAP, PHOSPHO1 TAAR1 1797/4885TYMP 4/4885HPGD 1923/4885

“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.