SCHEMBL4479992

SCHEMBL4479992

CCC=C(C(=O)OCC)C(=O)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
GLO1 Q04760 1/20 0.46
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 7/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
DHODH Q02127 2/20 0.36
GAA P10253 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLIN1 O60240 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL16692406 0.85 NPSR1 (0.48) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL364547 0.83 NPSR1 (0.47) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL9267127 0.83 NPSR1 (0.47) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL364548 0.83 NPSR1 (0.47) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL13269641 0.82 NPSR1 (0.58) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL1939600 0.82 NPSR1 (0.58) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL19246 0.80 NPSR1 (0.44) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL17164559 0.80 NPSR1 (0.44) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL452937 0.80 NPSR1 (0.44) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL20248 0.80 NPSR1 (0.44) NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022122910-A1 SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2022-06-16 WO 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

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 NPSR1 2679/4885GLO1 1239/4885CYP2D6 516/4885

“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.