SCHEMBL3787750

SCHEMBL3787750

O=S(OC1CCCCC1F)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 1/20 0.31
SLC18A3 Q16572 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1846821 0.97 CHRM2 (0.30)
SCHEMBL12354062 0.97 CHRM2 (0.30)
SCHEMBL12353918 0.97 CHRM2 (0.30)
SCHEMBL3784400 0.85 LTA4H (0.33) RAB9A
SCHEMBL3783428 0.84 CYP1A2 (0.33) ALDH1A1RAB9A
SCHEMBL3771631 0.84 SMN1; SMN2 (0.35) ALDH1A1
SCHEMBL3787832 0.84 MEN1 (0.34)
SCHEMBL3786063 0.82 LTA4H (0.30)
SCHEMBL3789357 0.81 RECQL (0.33) ALDH1A1
SCHEMBL3782427 0.81 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 1367/4885NPSR1 2665/4885RAB9A 923/4885

“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.