SCHEMBL2132571

SCHEMBL2132571

CCCC(S)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.37
CTSS P25774 2/20 0.37
CA1 P00915 4/20 0.34
CA2 P00918 3/20 0.34
NOS1 P29475 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2134189 0.88 CA2 (0.44) CTSKCTSSCA1CA2
SCHEMBL2137806 0.86 ZDHHC7 (0.41) CTSKCTSSCA1CA2
SCHEMBL27518129 0.83 CHRM1 (0.33) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL2140940 0.83 CTSS (0.34) CTSKCTSSCA1CA2NOS1
Methane SCHEMBL28301990 0.81 CTSS (0.33) CTSKCTSSCA1CA2NOS1
SCHEMBL10291076 0.78 HDAC1 (0.46) CTSKCTSSCA1CA2NOS1
SCHEMBL28374584 0.78 PRKCA (0.34) CA1CA2NOS1KMT2ATDP1
SCHEMBL3325978 0.78 CTSK (0.39) CTSKCTSSCA1CA2NOS1
SCHEMBL2134188 0.78 ALDH1A1 (0.43) CA1CA2KMT2ACHRM1AKR1A1
SCHEMBL7704460 0.78 HDAC1 (0.39) CA1CA2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563659-B Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot 浙江工业大学 2020-08-21 CN claimed
CN-110563659-A Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot 浙江工业大学 2019-12-13 CN claimed
CN-110563659-B Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot 浙江工业大学 2020-08-21 CN disclosed
CN-110563659-A Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot 浙江工业大学 2019-12-13 CN disclosed
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 CTSK 2835/4885CTSS 1733/4885CA1 617/4885

“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.