Sugi Predict

Sugi Predict / Compounds / SCHEMBL15045889

SCHEMBL15045889

SCHEMBL15045889

COCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ VCP P55072 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ PDE3A Q14432 1/20 0.53
▸ HPRT1 P00492 10/20 0.45
▸ PNP P00491 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EDNRA P25101 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
Ganciclovir SCHEMBL3034 0.92 BLM (0.67) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL15257621 0.91 KMT2A (0.55) BLMMEN1KMT2AALDH1A1LMNA
Ganciclovir SCHEMBL147839 0.91 BLM (0.65) BLMMEN1KMT2AALDH1A1LMNA
Valganciclovir SCHEMBL28996 0.86 PDE3A (0.74) BLMMEN1KMT2AALDH1A1LMNA
(S)-Valganciclovir SCHEMBL28997 0.86 PDE3A (0.74) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL19236311 0.86 PDE3A (0.56) BLMMEN1KMT2AALDH1A1LMNA
Valganciclovir SCHEMBL23225 0.85 PDE3A (0.73) BLMMEN1KMT2AALDH1A1LMNA
Valganciclovir SCHEMBL1652839 0.84 PDE3A (0.71) BLMMEN1KMT2AALDH1A1LMNA
Valganciclovir SCHEMBL3237941 0.84 PDE3A (0.70) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL15531833 0.83 MEN1 (0.53) BLMMEN1KMT2AALDH1A1LMNA

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 BLM 3877/4885MEN1 4824/4885KMT2A 3668/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 BLM 3877/4885MEN1 4824/4885KMT2A 3668/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 BLM 3877/4885MEN1 4824/4885KMT2A 3668/4885

“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.