Sugi Predict

Sugi Predict / Compounds / SCHEMBL15045976

SCHEMBL15045976

SCHEMBL15045976

COC(C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 3/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ SLC29A1 Q99808 1/20 0.60
▸ POLA1 P09884 2/20 0.52
▸ LMNA P02545 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ NT5E P21589 1/20 0.39
▸ CACNA1F O60840 2/20 0.38
▸ ALB P02768 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CACNA1D Q01668 2/20 0.38
▸ CACNA1S Q13698 2/20 0.38
▸ CACNA1C Q13936 2/20 0.38
▸ POLG P54098 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL15253010 0.91 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL23474183 0.91 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL25619493 0.91 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL23474279 0.91 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL800826 0.88 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL15046103 0.88 PDE3A (0.60) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL3788355 0.88 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL13190270 0.88 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL13190267 0.87 PDE3A (0.64) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL382457 0.87 PDE3A (0.64) PDE3APDE4DSLC29A1POLA1LMNA

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-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 — — US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 — — US disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 — — US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 — — WO 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 (3 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 PDE3A 3539/4885PDE4D 3319/4885SLC29A1 358/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 PDE3A 3539/4885PDE4D 3319/4885SLC29A1 358/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 PDE3A 3539/4885PDE4D 3319/4885SLC29A1 358/4885

“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.