Sugi Predict

Sugi Predict / Compounds / SCHEMBL6743324

SCHEMBL6743324

SCHEMBL6743324

CCCC(=O)Oc1ccccc1/C=C/C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ LMNA P02545 5/20 0.40
▸ NFE2L2 Q16236 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TFEB P19484 1/20 0.39
▸ FBP1 P09467 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL766471 0.82 KMT2A (0.48) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL1201154 0.82 ALDH1A1 (0.52) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL3618138 0.81 HTT (0.55) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL3618136 0.81 HTT (0.55) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL9312497 0.78 KMT2A (0.59) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL6742049 0.76 ALOX15 (0.51) KDM4EALOX15MAPTSMN1; SMN2ALDH1A1
SCHEMBL27173083 0.75 MEN1 (0.58) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL15547747 0.74 KMT2A (0.49) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL15546535 0.74 KMT2A (0.49) MEN1KMT2AKDM4ERECQLLMNA
SCHEMBL15548120 0.74 ELANE (0.56) MEN1KMT2AKDM4ERECQLLMNA

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-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

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 MEN1 2826/4885KMT2A 2486/4885KDM4E 1835/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 MEN1 4490/4885KMT2A 4046/4885KDM4E 3842/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 MEN1 2786/4885KMT2A 2406/4885KDM4E 1803/4885

“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.