SCHEMBL6113085

SCHEMBL6113085

CCC(C)C(C)C(=O)OC(=O)C(C)C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SOAT1 P35610 1/20 0.36
ALDH1A1 P00352 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MME P08473 2/20 0.32
ACE P12821 2/20 0.32
CPA1 P15085 2/20 0.32
ACE2 Q9BYF1 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL13366801 0.82 CA1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL11041537 0.82 CA1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL12058704 0.82 ALDH1A1 (0.43) TSHRSOAT1ALDH1A1CHRM1LMNA
SCHEMBL15041052 0.82 CA1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL17677251 0.82 ALDH1A1 (0.43) TSHRSOAT1ALDH1A1CHRM1LMNA
SCHEMBL12890253 0.82 CA1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL15041053 0.82 CA1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL8223673 0.82 CA1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL11922731 0.82 CA1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL7758152 0.80 ALDH1A1 (0.31) ALDH1A1MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757102-B1 Intermediate for producing a cyclic sulfonic acid ester WAKO PURE CHEM IND LTD (JP) 2016-03-23 EP disclosed
US-8969591-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-03 US disclosed
EP-2463281-B1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD (JP) 2014-10-22 EP disclosed
EP-2757102-A1 1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative Wako Pure Chemical Industries, Ltd. (JP) 2014-07-23 EP disclosed
US-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-22 US disclosed
US-8673963-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-18 US disclosed
EP-2463281-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 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-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 TSHR 1305/4885SOAT1 278/4885ALDH1A1 131/4885
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 TSHR 1305/4885SOAT1 278/4885ALDH1A1 131/4885

“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.