SCHEMBL1318772

SCHEMBL1318772

CS(=O)(=O)CCCCOC=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL15689695 0.93 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL119164 0.83
SCHEMBL19784662 0.78 KDM4E (0.30) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL19784670 0.78 KDM4E (0.30) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL14030656 0.77 APP (0.41) LMNA
SCHEMBL2166634 0.77 TSHR (0.68) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL2281605 0.77
SCHEMBL10828814 0.77 CA2 (0.39) ALDH1A1LMNATSHRTP53
SCHEMBL11949579 0.76 CA1 (0.30)
SCHEMBL2283394 0.74 ALDH1A1 (0.32) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 US disclosed
US-9206090-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-08 US disclosed
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 US disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
US-4604460-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1986-08-05 US disclosed
US-4533730-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1985-08-06 US disclosed
US-4504659-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1985-03-12 US disclosed
US-4478997-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1984-10-23 US disclosed
US-4443598-A ANTIBIOTICS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1984-04-17 US disclosed
US-4366316-A FROM OXAZOLINOAZETIDINONE AND ACID SHIONOGI & CO., LTD. (JP) 1982-12-28 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 (2 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-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS SCO2, CBR3, HCCS ALDH1A1 3150/4885LMNA 4107/4885KDM4E 953/4885
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS COX6C, CBR3, CYCS ALDH1A1 4294/4885LMNA 2287/4885KDM4E 345/4885

“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.