SCHEMBL2138779

SCHEMBL2138779

CC(C)CC(S)C(=O)OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.54
TSHR P16473 4/20 0.39
SLC7A5 Q01650 1/20 0.33
LMNA P02545 3/20 0.32
HCAR2 Q8TDS4 1/20 0.31
MME P08473 2/20 0.31
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPR3 P17342 1/20 0.30
FOLH1 Q04609 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP19A1 P11511 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
SCHEMBL8375947 0.81 RNPEP (0.58) RNPEPTSHRSLC7A5LMNAMME
SCHEMBL2137937 0.79 TSHR (0.40) RNPEPTSHRLMNAHCAR2MME
SCHEMBL2134626 0.79 RNPEP (0.56) RNPEPLMNAMMEALDH1A1MAPT
SCHEMBL2137043 0.77 RNPEP (0.54) RNPEPTSHRSLC7A5MMEALDH1A1
SCHEMBL2138634 0.77 RNPEP (0.54) RNPEPTSHRLMNAALDH1A1
SCHEMBL7222915 0.76 TSHR (0.42) RNPEPTSHRSLC7A5LMNAHCAR2
SCHEMBL6062932 0.76 TSHR (0.42) RNPEPTSHRSLC7A5LMNAHCAR2
SCHEMBL19525758 0.76 TSHR (0.42) RNPEPTSHRSLC7A5LMNAHCAR2
SCHEMBL28962638 0.76 TSHR (0.42) RNPEPTSHRSLC7A5LMNAHCAR2
SCHEMBL29927233 0.76 LMNA (0.39) RNPEPTSHRLMNAHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471252-B Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2014-07-02 CN disclosed
CN-103709079-A Process for preparation of (fluoroalkylthio)acetic acid esters MASAJI HIROTA HIROYUKI MIYAZAKI TADAYOSHI ITOH 2014-04-09 CN disclosed
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 RNPEP 1177/4885TSHR 254/4885SLC7A5 1638/4885

“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.