SCHEMBL2842308

SCHEMBL2842308

CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ STING1 Q86WV6 2/20 0.34
▸ HPRT1 P00492 3/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ GSK3A P49840 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL2842311 0.86 TYMP (0.39) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL3278946 0.80 KDM4E (0.48) KDM4ESTING1HPRT1
SCHEMBL12568425 0.79 TYMP (0.42) TYMP
SCHEMBL13145466 0.79 TYMP (0.42) TYMP
SCHEMBL9913499 0.78 KDM4E (0.59) ALDH1A1KDM4E
SCHEMBL25505327 0.78 KDM4E (0.59) ALDH1A1KDM4E
SCHEMBL25504740 0.78 KDM4E (0.66) ALDH1A1KDM4E
SCHEMBL25504668 0.76 KDM4E (0.45) ALDH1A1KDM4E
SCHEMBL2010362 0.75 TYMP (0.43) TYMP
SCHEMBL25505318 0.75 PRMT6 (0.39) —

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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