SCHEMBL2598646

SCHEMBL2598646

CCOC(=O)c1csc(C2(F)CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 4/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK1 P49759 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
OGA O60502 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 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
SCHEMBL2598669 0.83 ALDH1A1 (0.35) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL1119946 0.82 GAA (0.45) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL15961401 0.80 RAB9A (0.46) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL2598439 0.75 MEN1 (0.38) ALDH1A1RAB9AKMT2AMEN1
SCHEMBL441577 0.74 ALDH1A1 (0.44) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL15961369 0.74 NR1H2 (0.42) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL18394638 0.73 RAB9A (0.52) ALDH1A1GAANPC1RAB9AKMT2A
SCHEMBL441653 0.73 ALDH1A1 (0.43) ALDH1A1GAAHPGDKMT2AMAPT
SCHEMBL15446675 0.73 ALDH1A1 (0.43) ALDH1A1GAAHPGDKMT2AHSD17B10
SCHEMBL31459287 0.72 ALDH1A1 (0.44) ALDH1A1GAAHPGDNPC1RAB9A

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-2571873-B1 BIS(DIFLUORMETHYL)PYRAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-06-24 EP disclosed
US-8815775-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2014-08-26 US disclosed
EP-2571873-A1 BIS(DIFLUOROMETHYL) PYRAZOLES AS FUNGICIDES Bayer CropScience AG (DE) 2013-03-27 EP disclosed
US-20110301197-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
WO-2011144586-A1 BIS(DIFLUOROMETHYL) PYRAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-11-24 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-20110301197-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP4X1, CYP1A1, CYP1B1 ALDH1A1 1444/4885GAA 311/4885HPGD 3904/4885

“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.