SCHEMBL1054677

SCHEMBL1054677

C=C(C(=O)OS(=O)(=O)c1ccc(C)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
VDR P11473 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL493845 0.80 ALDH1A1 (0.47) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL361916 0.80 ALDH1A1 (0.47) ALDH1A1GAAF2PRSS1PRSS2
Ammonia Solution, Strong SCHEMBL9252460 0.79 ALDH1A1 (0.46) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL7319789 0.76 ALDH1A1 (0.50) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL4119814 0.76 ALDH1A1 (0.46) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL6283149 0.75 ALDH1A1 (0.49) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL28003017 0.74 ALDH1A1 (0.52) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL28887671 0.74 ALDH1A1 (0.45) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL10637725 0.74 ALDH1A1 (0.60) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL938973 0.73 ALDH1A1 (0.46) ALDH1A1GAAF2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546587-B2 Method for producing acrylate derivative, acrylate derivative, and intermediate thereof KURARAY CO., LTD. (JP) 2013-10-01 US disclosed
US-8431722-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-04-30 US disclosed
US-8362169-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-01-29 US disclosed
US-20130005990-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF KURARAY CO., LTD. (JP) 2013-01-03 US disclosed
US-20120316349-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2012-12-13 US disclosed
US-8314258-B2 Method for producing acrylate derivative, acrylate derivative, and intermediate thereof KURARAY CO., LTD. (JP) 2012-11-20 US disclosed
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2011-03-10 US disclosed
US-20110009643-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF KURARAY CO., LTD. (JP) 2011-01-13 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 (4 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-20130005990-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF ACR, ADH1A, ALAD ALDH1A1 13/4885GAA 3265/4885F2 1473/4885
US-20120316349-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS ADH1A, ADH1C, ADH5 ALDH1A1 7/4885GAA 4687/4885F2 1743/4885
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS RAD51, LBR, RPLP0 ALDH1A1 2980/4885GAA 3061/4885F2 4077/4885
US-20110009643-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF ACR, ADH1A, ALAD ALDH1A1 13/4885GAA 3265/4885F2 1473/4885

“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.