SCHEMBL3439286

SCHEMBL3439286

CC(CCCOS(C)(=O)=O)OS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
USP2 O75604 2/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
MMP9 P14780 1/20 0.56
ALOX15 P16050 1/20 0.56
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA9 Q16790 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
SCHEMBL3439285 1.00 ALDH1A1 (0.56) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL14505815 1.00 ALDH1A1 (0.56) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL14778022 0.94 ALDH1A1 (0.60) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL19024347 0.87 ALDH1A1 (0.48) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL575402 0.87 ALDH1A1 (0.48) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL14779634 0.84 ALDH1A1 (0.50) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL2756236 0.84 ALDH1A1 (0.50) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL14778728 0.82 ALDH1A1 (0.48) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL14780210 0.82 ALDH1A1 (0.48) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL2166961 0.81 TSHR (0.48) ALDH1A1USP2TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2543662-B1 PROCESS FOR PREPARATION OF ALKYL METHANESULFONATE SOLUTION SUMITOMO CHEMICAL CO (JP) 2015-04-22 EP disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
US-7807426-B2 Processes for producing optically active 1-substituted 2-methylpyrrolidine KANEKA CORPORATION (JP) 2010-10-05 US disclosed
US-20070292926-A1 Processes for Producing Optically Active 1-Substituted 2-Methylpyrrolidine and Intermediate Therefor KANEKA CORPORATION (JP) 2007-12-20 US disclosed
EP-1715054-A1 PROCESSES FOR PRODUCING OPTICALLY ACTIVE 1-SUBSTITUTED 2-METHYLPYRROLIDINE AND INTERMEDIATE THEREFOR KANEKA CORPORATION (JP) 2006-10-25 EP disclosed
US-4251626-A FOR X-RAY FILMS FUJI PHOTO FILM CO., LTD. (JP) 1981-02-17 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 (1 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-20070292926-A1 Processes for Producing Optically Active 1-Substituted 2-Methylpyrrolidine and Intermediate Therefor FAR1, NOTUM, ALDH7A1 ALDH1A1 75/4885USP2 2226/4885TSHR 4023/4885

“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.