SCHEMBL21473299

SCHEMBL21473299

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cnc3c(=O)[nH]c(O)nc32)O[C@@H]1COP1(=S)SCCS1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ P2RY1 P47900 1/20 0.38
▸ POLA1 P09884 1/20 0.37
▸ TYMP P19971 1/20 0.36
▸ STING1 Q86WV6 1/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ P2RY4 P51582 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ IMPDH1 P20839 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 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
SCHEMBL26190903 1.00 POLB (0.39) POLBKDM4EP2RY1POLA1TYMP
SCHEMBL21489241 1.00 POLB (0.39) POLBKDM4EP2RY1POLA1TYMP
SCHEMBL21489385 0.91 POLB (0.48) POLBSTING1P2RY2P2RY4P2RY6
SCHEMBL21489244 0.91 POLB (0.39) POLBKDM4EP2RY1POLA1TYMP
SCHEMBL21473301 0.91 POLB (0.48) POLBSTING1P2RY2P2RY4P2RY6
SCHEMBL21474252 0.88 KDM4E (0.39) POLBKDM4EP2RY1POLA1TYMP
SCHEMBL26189244 0.86 POLB (0.43) POLBKDM4EPOLA1TYMPSTING1
SCHEMBL21504648 0.85 IMPDH2 (0.42) STING1IMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL21489257 0.85 IMPDH2 (0.42) STING1IMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL21489355 0.83 STING1 (0.45) STING1IMPDH2IMPDH1TAS1R3TAS1R1

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-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2019-10-24 — — US disclosed
WO-2019200273-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-17 — — 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 (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-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS POLB 2210/4885KDM4E 2416/4885P2RY1 723/4885

“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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