SCHEMBL19129783

SCHEMBL19129783

CC1(C)OC2[C@H](O1)C(O)O[C@@H]2CO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GLB1 P16278 1/20 0.38
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
PDE4D Q08499 1/20 0.31

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
SCHEMBL8331439 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12319866 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL3150867 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL11982563 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL16561907 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7129056 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12902303 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12301979 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL91158 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL16040788 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278040-B Preparation method of 5' -isobutyryl-N4-hydroxycytidine 苏州立新制药有限公司 2022-07-05 CN claimed
CN-113278040-B Preparation method of 5' -isobutyryl-N4-hydroxycytidine 苏州立新制药有限公司 2022-07-05 CN disclosed
WO-2017161349-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE IMMUNE SENSOR, LLC (US) 2017-09-21 WO disclosed
US-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC. (KR) 2017-07-20 US disclosed
US-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC. (KR) 2017-07-20 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-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF ADORA2A, ADORA3, ADORA1 PI4KA 2660/4885PI4K2B 3147/4885PI4K2A 2600/4885

“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.