Sugi Predict

Sugi Predict / Compounds / SCHEMBL4186572

SCHEMBL4186572

SCHEMBL4186572

CCOC(=O)c1cn2c3c(cc(I)cc3c1=O)COC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.39
▸ KDM4E B2RXH2 9/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 6/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL4144519 0.85 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4142430 0.80 ALDH1A1 (0.42) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4186260 0.79 KDM4E (0.41) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4180317 0.78 ADRB2 (0.40) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4172073 0.78 KDM4E (0.34) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4183629 0.77 DDB1 (0.38) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3810010 0.75 KMT2A (0.44) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4126212 0.75 KDM4E (0.41) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6781763 0.73 KDM4E (0.37) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6724048 0.73 LMNA (0.52) STAT3KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 — — US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 — — US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 — — US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 — — US disclosed
EP-1824497-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 — — EP disclosed
WO-2006050943-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 — — 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 STAT3 3815/4885KDM4E 3897/4885ALDH1A1 4011/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 STAT3 4269/4885KDM4E 4136/4885ALDH1A1 3772/4885
US-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS STAT3 3182/4885KDM4E 4180/4885ALDH1A1 3645/4885

“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.