SCHEMBL3786740

SCHEMBL3786740

CC(C)(C)c1ccc(S(=O)OC2CCCCC2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPY4R P50391 1/20 0.41
NPY5R Q15761 1/20 0.41
SLC6A2 P23975 1/20 0.35
RAB9A P51151 3/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 3/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.31
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
SCHEMBL3783428 0.84 CYP1A2 (0.33) ALDH1A1KDM4ERAB9AHPGDMEN1
SCHEMBL3784400 0.82 LTA4H (0.33) RAB9ANPC1
SCHEMBL3787832 0.81 MEN1 (0.34) MEN1KMT2A
SCHEMBL3789357 0.81 RECQL (0.33) ALDH1A1ACHE
SCHEMBL3771631 0.81 SMN1; SMN2 (0.35) ALDH1A1SLC6A2
SCHEMBL3787750 0.80 ALDH1A1 (0.31) ALDH1A1RAB9A
SCHEMBL3786063 0.79 LTA4H (0.30)
SCHEMBL1846202 0.79 KDM4E (0.34) ALDH1A1KDM4EHSD17B10NPY1RNPY2R
SCHEMBL12353929 0.79 KDM4E (0.34) ALDH1A1KDM4EHSD17B10NPY1RNPY2R
SCHEMBL3782427 0.78 SMN1; SMN2 (0.33) ALDH1A1

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 ALDH1A1 1367/4885KDM4E 3497/4885HSD17B10 2519/4885

“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.