SCHEMBL21489355

SCHEMBL21489355

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 8/20 0.45
▸ NT5E P21589 2/20 0.39
▸ IMPDH2 P12268 6/20 0.38
▸ IMPDH1 P20839 2/20 0.38
▸ HINT1 P49773 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL21473300 1.00 STING1 (0.45) STING1NT5EIMPDH2IMPDH1HINT1
SCHEMBL21504648 0.92 IMPDH2 (0.42) STING1NT5EIMPDH2IMPDH1HINT1
SCHEMBL21489257 0.92 IMPDH2 (0.42) STING1NT5EIMPDH2IMPDH1HINT1
SCHEMBL21473303 0.91 STING1 (0.51) STING1NT5EHINT1
SCHEMBL21489169 0.91 STING1 (0.51) STING1NT5EHINT1
SCHEMBL21489358 0.91 STING1 (0.42) STING1NT5EIMPDH2IMPDH1HINT1
SCHEMBL21473292 0.89 STING1 (0.41) STING1NT5EIMPDH2IMPDH1HINT1
SCHEMBL26189245 0.87 STING1 (0.42) STING1NT5EIMPDH2IMPDH1HINT1
SCHEMBL21489365 0.84 HINT1 (0.51) STING1NT5EHINT1
SCHEMBL21473246 0.84 STING1 (0.40) STING1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077558-B2 Phosphorus (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophosphorus (V) compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-09-03 — — US disclosed
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 — — US disclosed
US-11613554-B2 Phosphorous (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophoshorous (V) compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-03-28 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS STING1 4287/4885NT5E 472/4885IMPDH2 1266/4885
US-12077558-B2 Phosphorus (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophosphorus (V) compounds PPIP5K2, PLCB3, PLCG2 STING1 3983/4885NT5E 468/4885IMPDH2 1862/4885
US-11613554-B2 Phosphorous (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophoshorous (V) compounds PPIP5K2, INPP5B, PTMS STING1 4287/4885NT5E 472/4885IMPDH2 1266/4885
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 STING1 4067/4885NT5E 379/4885IMPDH2 1341/4885

“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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