SCHEMBL2243142

SCHEMBL2243142

O=S(=O)(O[C@H]1CCC[C@@H]1F)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
PARL Q9H300 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.39
ACHE P22303 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ENPP3 O14638 3/20 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
SCHEMBL1846583 1.00 MAPK1 (0.45) MAPK1PARLALDH1A1NPSR1THRB
SCHEMBL1846584 1.00 MAPK1 (0.45) MAPK1PARLALDH1A1NPSR1THRB
SCHEMBL4130979 0.97 MAPK1 (0.45) MAPK1PARLALDH1A1NPSR1THRB
SCHEMBL14779367 0.88 MAPK1 (0.47) MAPK1PARLALDH1A1NPSR1THRB
SCHEMBL14779168 0.84 ALDH1A1 (0.49) MAPK1PARLALDH1A1NPSR1THRB
SCHEMBL4132814 0.81 CYP2D6 (0.54) ALDH1A1ACHECYP3A4CYP2C19KMT2A
SCHEMBL14778734 0.80 ACHE (0.46) MAPK1PARLALDH1A1NPSR1THRB
SCHEMBL14779208 0.80 PARL (0.50) MAPK1PARLALDH1A1NPSR1CYP3A4
SCHEMBL14780257 0.78 ALDH1A1 (0.44) MAPK1PARLALDH1A1NPSR1THRB
SCHEMBL14778778 0.77 MAPK1 (0.47) MAPK1PARLALDH1A1ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 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 (2 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 MAPK1 3630/4885PARL 1886/4885ALDH1A1 1367/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS MAPK1 3413/4885PARL 2294/4885ALDH1A1 1500/4885

“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.