Sugi Predict

Sugi Predict / Compounds / SCHEMBL6743545

SCHEMBL6743545

SCHEMBL6743545

CCCC(=O)Oc1cc(CCC(C)(C)C)cc(OC(=O)CCC)c1OC(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.47
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ AKR1B1 P15121 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AKR1C3 P42330 3/20 0.33
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ LDHB P07195 1/20 0.32
▸ VCAM1 P19320 2/20 0.32

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
SCHEMBL6742852 0.84 ALOX15 (0.63) ALOX15LMNAAKR1C3TBK1
SCHEMBL6742473 0.81 ALOX15 (0.56) ALOX15AKR1C3LDHA
SCHEMBL3607900 0.73 ALOX15 (0.45) ALOX15KMT2ALMNAAKR1B1KDM4E
SCHEMBL6743519 0.73 ALOX15 (0.68) ALOX15KMT2ALMNAKDM4EALDH1A1
SCHEMBL15547747 0.72 KMT2A (0.49) ALOX15KMT2ALMNAMAPTKDM4E
SCHEMBL6762238 0.71 ALOX15 (0.43) ALOX15KMT2ALMNAMAPTKDM4E
SCHEMBL22141048 0.71 KMT2A (0.50) ALOX15KMT2ALMNAMAPTKDM4E
SCHEMBL26397841 0.71 ALOX15 (0.36) ALOX15KMT2ALMNAAKR1B1KDM4E
SCHEMBL21976826 0.70 ALOX15 (0.53) ALOX15AKR1C3
SCHEMBL6763059 0.70 CA12 (0.49) ALOX15KMT2ALMNAMAPTKDM4E

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
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — 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 (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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ALOX15 622/4885KMT2A 2486/4885LMNA 1345/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALOX15 327/4885KMT2A 4046/4885LMNA 3037/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALOX15 598/4885KMT2A 2406/4885LMNA 1466/4885

“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.