SCHEMBL12154623

SCHEMBL12154623

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](CO)O[C@H]1n1cnc(C#N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.44
▸ LMNA P02545 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ EIF4E P06730 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ GALR3 O60755 1/20 0.39
▸ CA1 P00915 10/20 0.38
▸ CA2 P00918 10/20 0.38

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
SCHEMBL12879162 0.91 LMNA (0.40) CD69LMNAALDH1A1TP53MAPT
SCHEMBL12150456 0.91 LMNA (0.40) CD69LMNAALDH1A1TP53MAPT
SCHEMBL13614200 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL15031303 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL1377520 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12892515 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14036675 0.85 LMNA (0.34) CD69LMNAALDH1A1TP53MAPT
SCHEMBL16349578 0.85 OGA (0.36) CD69LMNAALDH1A1TP53MAPT
SCHEMBL13530678 0.84 POLB (0.44) LMNAALDH1A1SMN1; SMN2GLAEIF4E
SCHEMBL12150509 0.84 POLB (0.44) LMNAALDH1A1SMN1; SMN2GLAEIF4E

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-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — 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 (2 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-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP CD69 3404/4885LMNA 2918/4885ALDH1A1 4754/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN CD69 4149/4885LMNA 2680/4885ALDH1A1 3678/4885

“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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