SCHEMBL6417243

SCHEMBL6417243

COc1ccc2ccc(C=O)c(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ERN1 O75460 1/20 0.39
TYMS P04818 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LMNA P02545 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL31040055 0.83 MTNR1A (0.39) ALDH1A1CA1CA2KDM4EMTNR1A
SCHEMBL710706 0.80 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL29828482 0.80 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL14373760 0.78 GPR55 (0.46) MTNR1AMTNR1B
SCHEMBL8499219 0.77 L3MBTL1 (0.50) CYP1A2CA1CA2KDM4EMEN1
SCHEMBL30064848 0.77 MTNR1A (0.40) ALDH1A1MTNR1AMTNR1BCDK1
SCHEMBL10020233 0.77 ALDH1A1 (0.49) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL1304599 0.77 MTNR1A (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2001499 0.75 ALDH1A1 (0.63) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL13612572 0.75 LMNA (0.51) ALDH1A1CYP1A2CYP2C19KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 US disclosed
WO-2004111003-A1 AMIDE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A ALDH1A1 1300/4885TRIM24 4795/4885TYR 456/4885

“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.