SCHEMBL3787905

SCHEMBL3787905

CC(C)(C)c1ccc(S(=O)OC2CCC(F)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
NPY4R P50391 1/20 0.31
NPY5R Q15761 1/20 0.31
SLC6A2 P23975 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 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
SCHEMBL3780305 0.83 GAA (0.35) HSD11B1ALDH1A1KDM4EHSD17B10GAA
SCHEMBL3778043 0.81 IDO1 (0.31) EPHX2
SCHEMBL3784009 0.80 PTPRF (0.32)
SCHEMBL3783112 0.80 SMN1; SMN2 (0.34) ALDH1A1GAA
SCHEMBL3782340 0.79 EPHX1 (0.30)
SCHEMBL3785541 0.78 LMNA (0.32)
SCHEMBL3786740 0.77 ALDH1A1 (0.42) HSD11B1ALDH1A1KDM4EHSD17B10GAA
SCHEMBL3788609 0.75 PTPN2 (0.38) ALDH1A1HSD17B10GAARAB9AACHE
SCHEMBL3786069 0.74 RECQL (0.33) ALDH1A1
SCHEMBL3772967 0.72 RIPK1 (0.31)

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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US claimed

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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS HSD11B1 2831/4885ALDH1A1 1367/4885KDM4E 3497/4885

“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.