SCHEMBL441232

SCHEMBL441232

Cc1nn(C)c(F)c1C(=S)N(Cc1ccccc1[Si](C)(C)C)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
ALDH1A1 P00352 11/20 0.35
GPBAR1 Q8TDU6 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGAM O43451 1/20 0.32
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 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
SCHEMBL12710329 0.88 GPBAR1 (0.40) OPRM1ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL441106 0.87 ALDH1A1 (0.35) OPRM1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15525012 0.78 OPRM1 (0.40) OPRM1ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL438859 0.77 OPRM1 (0.40) OPRM1ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL12710359 0.77 NOS3 (0.46) ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL439358 0.74 GPBAR1 (0.41) OPRM1ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL1547672 0.74 GPBAR1 (0.43) OPRM1ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL12710361 0.73 GPBAR1 (0.40) OPRM1ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL13731654 0.73 SLC6A2 (0.39) OPRM1ALDH1A1L3MBTL1
SCHEMBL12710332 0.72 SLC6A2 (0.45) OPRM1ALDH1A1GPBAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000809-B1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER IP GMBH (DE) 2018-10-31 EP disclosed
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-9398767-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-26 US disclosed
EP-3000809-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer Intellectual Property GmbH (DE) 2016-03-30 EP disclosed
EP-2430000-B1 Fungicide pyrazole carboxamide derivates BAYER IP GMBH (DE) 2015-11-04 EP disclosed
US-8772266-B2 Fungicide pyrazole carboxamides derivates BAYER CROPSCIENCE AG (DE) 2014-07-08 US disclosed
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG 2014-05-29 US disclosed
CN-102421757-A Fungicide pyrazole carboxamide derivatives BAYER CROPSCIENCE AG 2012-04-18 CN disclosed
EP-2430000-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2012-03-21 EP disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US disclosed
WO-2010130767-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-18 WO disclosed
EP-2251331-A1 Fungicide pyrazole carboxamides derivatives Bayer CropScience AG (DE) 2010-11-17 EP 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 (3 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-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 OPRM1 3389/4885ALDH1A1 4202/4885GPBAR1 4515/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 OPRM1 3389/4885ALDH1A1 4202/4885GPBAR1 4515/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 OPRM1 3718/4885ALDH1A1 4241/4885GPBAR1 4675/4885

“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.