SCHEMBL6676898

SCHEMBL6676898

CCCSc1c(OCOC)cccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
AR P10275 3/20 0.36
APLNR P35414 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
PTGS2 P35354 1/20 0.33
ATM Q13315 1/20 0.32
PTPN1 P18031 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
LMNA P02545 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL6679512 0.87 ATM (0.39) ARAPLNRKDM4EPTGS2ATM
SCHEMBL27860909 0.83 AR (0.35) ARAPLNRKDM4EKCNK3KCNK9
SCHEMBL28340449 0.83 PIM1 (0.40) PIM1PIM2ARKCNK3KCNK9
SCHEMBL2317520 0.76 RXRA (0.46) PIM1PIM2ARPTGS2MRGPRX4
SCHEMBL6681359 0.75 AR (0.41) ARAPLNRKDM4EPTGS2
SCHEMBL2321554 0.75 PIM1 (0.40) PIM1PIM2ARKCNK3KCNK9
SCHEMBL28995308 0.74 AR (0.40) ARAPLNRKDM4EL3MBTL1
SCHEMBL28995384 0.74 AR (0.40) ARAPLNRKDM4EPTGS2L3MBTL1
SCHEMBL20830508 0.74 PIM1 (0.40) PIM1PIM2ARKDM4EKCNK3
SCHEMBL6680112 0.74 APLNR (0.42) ARAPLNRKDM4E

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 3 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
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

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 1943/4885AR 2900/4885

“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.