SCHEMBL2361074

SCHEMBL2361074

C=CCOC(=O)C(Cl)(Cl)C(=O)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL5282910 0.77 CYP3A4 (0.37) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL2327749 0.76 MMP8 (0.36) CYP3A4TSHR
SCHEMBL7822624 0.76 MAPT (0.42) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL7822619 0.76 CYP3A4 (0.36) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL2364280 0.75 CYP3A4 (0.38) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL8586425 0.75 CYP3A4 (0.38) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL7094910 0.74 CYP3A4 (0.41) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL11384805 0.74 CYP3A4 (0.35) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL3407885 0.73 TSHR (0.36) CYP3A4TDP1TSHRMAPTCACNA1B
Ammonia Solution, Strong SCHEMBL10836805 0.72 CYP3A4 (0.39) CYP3A4TDP1TSHRMAPTCACNA1B

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
US-20060149091-A1 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 US claimed
EP-1644314-B1 METHOD FOR PRODUCING DIFLUORO-ACETYL-ACETIC ACID ALKYLESTERS BAYER CROPSCIENCE AG (DE) 2011-08-10 EP disclosed
US-7585998-B2 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AG (DE) 2009-09-08 US disclosed
US-20060149091-A1 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
EP-1644314-A1 METHOD FOR PRODUCING DIFLUORO-ACETYL-ACETIC ACID ALKYLESTERS Bayer CropScience Aktiengesellschaft (DE) 2006-04-12 EP disclosed
WO-2005003077-A1 METHOD FOR PRODUCING DIFLUORO-ACETYL-ACETIC ACID ALKYLESTERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-13 WO 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-20060149091-A1 Method for producing difluoro-acetyl-acetic acid alkylesters APEH, ACACA, NAT1 CYP3A4 343/4885TDP1 1757/4885TSHR 1158/4885

“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.