SCHEMBL1869152

SCHEMBL1869152

C=CCN(CC=C)C(=O)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
DPP4 P27487 2/20 0.39
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL8954042 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2DPP4MAPT
SCHEMBL6919191 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DPP4POLBMAPT
SCHEMBL2446348 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DPP4POLBMAPT
SCHEMBL11605479 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DPP4POLBMAPT
Dichlormid SCHEMBL20564640 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DPP4POLBMAPT
Dichlormid SCHEMBL117463 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DPP4POLBMAPT
SCHEMBL2187457 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2DPP4POLBMAPT
SCHEMBL11668092 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DPP4POLBMAPT
SCHEMBL11413701 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2DPP4
SCHEMBL2446346 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2DPP4POLB

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
EP-2114855-B1 METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS BAYER IP GMBH (DE) 2016-07-27 EP disclosed
US-8044231-B2 Method for producing dihalo acetoacetic alkyl esters BAYER CROPSCIENCE AG (DE) 2011-10-25 US disclosed
US-7939673-B2 Process for preparing 3-dihalomethyl-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
EP-2057126-B1 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
US-20100121095-A1 METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS BAYER CROPSCIENCE AG (DE) 2010-05-13 US disclosed
US-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-12-31 US disclosed
EP-2114855-A2 METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS Bayer CropScience Aktiengesellschaft (DE) 2009-11-11 EP disclosed
EP-2057126-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2009-05-13 EP disclosed
WO-2008092583-A2 METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 WO disclosed
WO-2008022777-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-28 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 (2 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-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES HRH4, SUV39H2, SUV39H1 ALDH1A1 87/4885SMN1; SMN2 4613/4885DPP4 1303/4885
US-20100121095-A1 METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS DAO, ACADM, APEH ALDH1A1 76/4885SMN1; SMN2 4502/4885DPP4 1508/4885

“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.