SCHEMBL2136594

SCHEMBL2136594

CN(CCO)C(=O)C(C)(C)N=NC(C)(C)C(=O)N(C)CCO

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CNR1 P21554 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
SCHEMBL1712608 0.79 MAPT (0.46) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1713071 0.77 MAPT (0.43) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16348106 0.76 MAPT (0.42) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1712705 0.76 MAPT (0.42) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2746473 0.76 MAPT (0.42) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12347996 0.74 RIPK1 (0.49) MAPTCNR1
SCHEMBL8434418 0.73 MAPT (0.43) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11282691 0.73 MAPT (0.43) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5512327 0.72 CHRNB2 (0.40) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4977804 0.72 MAPT (0.39) MAPTCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684870-A1 METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER Sumitomo Chemical Company Limited (JP) 2014-01-15 EP 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 MAPT 4195/4885CHRNB2 4208/4885CHRNB4 4067/4885

“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.