SCHEMBL19493360

SCHEMBL19493360

COc1ccc(C(OC[C@H](CO[PH](=O)OC)O[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PDE9A O76083 1/20 0.31

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
SCHEMBL31273452 0.76 TYMP (0.38) TYMPKDM4EPDE9A
SCHEMBL20360605 0.75 CDK5 (0.40) CDK5CDK5R1KDM4EPDE9A
SCHEMBL27041198 0.74 HPRT1 (0.40) TYMPKDM4EPDE9A
SCHEMBL27041171 0.74 HPRT1 (0.40) TYMPKDM4EPDE9A
SCHEMBL27041175 0.74 HPRT1 (0.40) TYMPKDM4EPDE9A
SCHEMBL19493361 0.74 TYMP (0.48) TYMPKDM4E
SCHEMBL19493439 0.74 TYMP (0.48) TYMPKDM4E
SCHEMBL31273672 0.73 KDM4E (0.39) TYMPKDM4EPDE9A
SCHEMBL20481728 0.72 TYMP (0.49) TYMPKDM4E
SCHEMBL25377613 0.72 TYMP (0.42) TYMPCDK5CDK5R1KDM4EPDE9A

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-20170296655-A1 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-19 — — 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-20170296655-A1 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, PDE11A, MAVS TYMP 688/4885CDK5 2351/4885CDK5R1 2883/4885

“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.

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