SCHEMBL6676444

SCHEMBL6676444

COCOc1cccc(C(F)(F)F)c1S(=O)(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 1/20 0.39
NFE2L2 Q16236 3/20 0.36
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34
KDR P35968 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
SCHEMBL8764071 0.85 KCNK3 (0.44) MRGPRX4KCNK3KCNK9RXRARXRB
SCHEMBL6630905 0.83 NFE2L2 (0.42) NFE2L2SLC22A12KMT2AGAAATM
SCHEMBL28960868 0.81 KCNN4 (0.36) PIM1NFE2L2CHEK1AURKADAPK3
SCHEMBL28960871 0.80 BACE1 (0.41) PIM1CHEK1AURKADAPK3JAK2
SCHEMBL29431092 0.80 SLC22A12 (0.36) NFE2L2MRGPRX4SLC22A12KCNK3KCNK9
SCHEMBL4394385 0.80 SLC22A12 (0.36) NFE2L2MRGPRX4SLC22A12KCNK3KCNK9
SCHEMBL31037153 0.79 SLC22A12 (0.35) NFE2L2MRGPRX4SLC22A12RXRARXRB
SCHEMBL17201326 0.77 MRGPRX4 (0.49) PIM1PIM2PTPN1MRGPRX4CCR4
SCHEMBL2317520 0.76 RXRA (0.46) PIM1PIM2MRGPRX4RXRARXRB
SCHEMBL9069065 0.76 TRPV4 (0.41) SLC22A12KMT2AMEN1GAA

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-1290001-B1 PROCESS FOR THE SELECTIVE DEPROTONATION AND FUNCTIONALIZATION OF 3-SUBSTITUTED BENZOTRIFLUORIDES DOW AGROSCIENCES LLC (US) 2004-11-03 EP disclosed
EP-1290001-A1 PROCESS FOR THE SELECTIVE DEPROTONATION AND FUNCTIONALIZATION OF 3-SUBSTITUTED BENZOTRIFLUORIDES Dow AgroSciences LLC (US) 2003-03-12 EP disclosed
US-6462240-B2 FROMING 2-LITHIOBENZOTRIFLORIDE FROM BENZOTRIFLUORIDE AND ALKYLLITHIUM DOW AGROSCIENCES LLC 2002-10-08 US disclosed
US-20020010375-A1 Process for the selective deprotonation and functionalization of 3-substituted benzotrifluorides CORTEVA AGRISCIENCE LLC 2002-01-24 US disclosed
WO-2001096348-A1 PROCESS FOR THE SELECTIVE DEPROTONATION AND FUNCTIONALIZATION OF 3-SUBSTITUTED BENZOTRIFLUORIDES DOW AGROSCIENCES LLC (US) 2001-12-20 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-20020010375-A1 Process for the selective deprotonation and functionalization of 3-substituted benzotrifluorides BPTF, FGFR2, FGFR4 PIM1 3454/4885PIM2 1943/4885NFE2L2 1163/4885

“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.