SCHEMBL1848358

SCHEMBL1848358

O=S(=O)(c1ccccc1)C(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MMP1 P03956 4/20 0.45
MMP13 P45452 4/20 0.45
MMP7 P09237 3/20 0.45
MMP12 P39900 3/20 0.45
ACE P12821 2/20 0.45
HTR6 P50406 1/20 0.44
PSIP1 O75475 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL9045038 0.78 PSIP1 (0.45) SMN1; SMN2TSHRMMP1MMP13MMP7
SCHEMBL2443658 0.77 PSIP1 (0.54) SMN1; SMN2TSHRMMP1MMP13MMP7
SCHEMBL15617703 0.77 KMT2A (0.48) SMN1; SMN2TSHRMMP13HTR6PSIP1
SCHEMBL17055249 0.75 MMP1 (0.44) SMN1; SMN2TSHRMMP1MMP13MMP7
Phosphonic Acid SCHEMBL5581864 0.75 MMP1 (0.48) SMN1; SMN2TSHRMMP1MMP13MMP7
SCHEMBL12959167 0.74 MMP1 (0.43) SMN1; SMN2TSHRMMP1MMP13MMP7
SCHEMBL28820920 0.74 MMP1 (0.54) SMN1; SMN2TSHRMMP1MMP13MMP7
SCHEMBL17319515 0.72 TRPA1 (0.50) SMN1; SMN2TSHRMMP1MMP13MMP7
Alcohol SCHEMBL28513509 0.72 PSIP1 (0.48) SMN1; SMN2TSHRMMP1MMP13MMP7
SCHEMBL4076634 0.72 HTR6 (0.55) SMN1; SMN2TSHRMMP1MMP13HTR6

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 4 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
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 WO 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 SMN1; SMN2 4340/4885TSHR 2367/4885MMP1 3929/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS SMN1; SMN2 2161/4885TSHR 2283/4885MMP1 4101/4885

“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.