SCHEMBL17110046

SCHEMBL17110046

CC1OC(CO)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 12)

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 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ GLB1 P16278 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL12838397 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL10072844 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL13523780 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12858933 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL20131364 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24686930 1.00 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL10051725 0.87 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24686932 0.87 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL25964778 0.86 ALDH1A1 (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7151496 0.83 PI4KA (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920016-B2 Process for the preparation of 4-amino 1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-hydroxymethyl-cyclopent-2-enyl)-1H-pyrimidin-2-one REXAHN PHARMACEUTICALS, INC. (US) 2018-03-20 — — US disclosed
US-20170158662-A1 Process for the Preparation of 4-Amino-1-((1S,4R,5S)-2-Fluoro-4,5-Dihydroxy-3-Hydroxymethyl-Cyclopent-2-Enyl)-1H-Pyrimidin-2-One REXAHN PHARMACEUTICALS, INC. (US) 2017-06-08 — — US disclosed
US-20160041154-A1 IMMUNOASSAYS OF S-ADENOSYLMETHIONINE AND METHYLATION INDEX IN PERSONALIZED MEDICINE AND HEALTH EVALUATION HAO, XIUJUAN 2016-02-11 — — US disclosed
US-20150268231-A1 IMMUNOASSAY OF S-ADENOSYLMETHIONINE IN PERSONALIZED MEDICINE AND HEALTH OR CANCER EVALUATION HAO, XIUJUAN 2015-09-24 — — 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 (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-20150268231-A1 IMMUNOASSAY OF S-ADENOSYLMETHIONINE IN PERSONALIZED MEDICINE AND HEALTH OR CANCER EVALUATION AHCY, BHMT2, BHMT PI4KA 4749/4885PI4K2B 4857/4885PI4K2A 4822/4885
US-20170158662-A1 Process for the Preparation of 4-Amino-1-((1S,4R,5S)-2-Fluoro-4,5-Dihydroxy-3-Hydroxymethyl-Cyclopent-2-Enyl)-1H-Pyrimidin-2-One RXFP4, RXFP1, NPY4R PI4KA 1541/4885PI4K2B 2421/4885PI4K2A 2370/4885

“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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