SCHEMBL1774034

SCHEMBL1774034

Cc1cc(C(F)(F)F)nn1CC(=S)N1CCC(c2nc(/C=C/c3ccccc3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 3/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 4/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SPR P35270 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM4 Q14833 1/20 0.33
CCR1 P32246 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL1774036 1.00 KDM4E (0.38) KDM4EPOLBTSHRGAAKMT2A
SCHEMBL1774177 0.90 GAA (0.44) KDM4EPOLBTSHRGAAALDH1A1
SCHEMBL1774175 0.90 GAA (0.44) KDM4EPOLBTSHRGAAALDH1A1
SCHEMBL1773982 0.83 GAA (0.42) KDM4EPOLBTSHRGAASPR
SCHEMBL1773981 0.83 GAA (0.42) KDM4EPOLBTSHRGAASPR
SCHEMBL28793977 0.82 KDM4E (0.37) KDM4EPOLBTSHRGAAKMT2A
SCHEMBL28793981 0.81 KDM4E (0.34) KDM4EPOLBTSHRGAAKMT2A
SCHEMBL1773829 0.79 GAA (0.42) KDM4EPOLBTSHRGAASPR
SCHEMBL1773828 0.79 GAA (0.42) KDM4EPOLBTSHRGAASPR
SCHEMBL1774227 0.79 GAA (0.42) KDM4EPOLBTSHRGAASPR

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-2334669-B1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER IP GMBH (DE) 2015-12-23 EP disclosed
EP-2334669-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-06-22 EP disclosed
US-7943774-B2 Heterocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
WO-2010037479-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2010-04-08 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-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents CYP8B1, CYP51A1, HPD KDM4E 3603/4885POLB 4164/4885TSHR 3836/4885

“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.