SCHEMBL1056005

SCHEMBL1056005

CC(=O)c1cccc(OS(=O)(=O)C(F)(F)F)c1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 4/20 0.36
HTR1D P28221 2/20 0.36
DRD3 P35462 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6642393 0.78 HSD11B1 (0.42) HSD11B1KMT2AALDH1A1TSHR
SCHEMBL3494879 0.76 HSD11B1 (0.46) HSD11B1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL1648325 0.76 KDM4E (0.49) KMT2ACYP1A2MAPTKDM4EALDH1A1
SCHEMBL1902043 0.76 ELANE (0.46) HSD11B1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL10015547 0.75 NCEH1 (0.53) HSD11B1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL3379105 0.75 NPSR1 (0.40) CYP1A2CYP3A4MAPTCYP2C19KDM4E
SCHEMBL3379111 0.75 NPSR1 (0.40) KDM4EALDH1A1LMNADRD2HPGD
SCHEMBL3377822 0.75 MAPT (0.42) KMT2ACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL3377816 0.75 KMT2A (0.39) KMT2ACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL14270838 0.75 HSD11B1 (0.45) HSD11B1CYP3A4CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 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-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation FLI1, VGF, GMFG HSD11B1 3639/4885KMT2A 196/4885THRB 4731/4885

“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.