SCHEMBL2841250

SCHEMBL2841250

CN(C(=O)O)[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)C[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALB P02768 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ STING1 Q86WV6 9/20 0.46
▸ ADORA3 P0DMS8 4/20 0.46
▸ P2RX3 P56373 1/20 0.42

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
SCHEMBL15165613 0.79 TYMP (0.56) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL13239716 0.78 TYMP (0.65) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL12352411 0.78 TYMP (0.65) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL10098564 0.78 TYMP (0.65) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL26757236 0.78 TYMP (0.70) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL26757542 0.78 TYMP (0.70) TYMPALDH1A1LMNAALBMAPK1
Deoxyinosine SCHEMBL12222465 0.77 TYMP (0.66) TYMPALDH1A1LMNAALBMAPK1
Deoxyinosine SCHEMBL889715 0.77 TYMP (0.66) TYMPALDH1A1LMNAALBMAPK1
Deoxyinosine SCHEMBL12570174 0.77 TYMP (0.66) TYMPALDH1A1LMNAALBMAPK1
Deoxyinosine SCHEMBL24308 0.77 TYMP (0.66) TYMPALDH1A1LMNAALBMAPK1

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
WO-2010114762-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES BERRY AND ASSOCIATES, INC. (US) 2010-10-07 — — WO disclosed
US-20100249393-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES BERRY AND ASSOCIATES, INC. (US) 2010-09-30 — — 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-20100249393-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES RNGTT, OGA, HCCS TYMP 118/4885ALDH1A1 1908/4885LMNA 830/4885

“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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