SCHEMBL16626119

SCHEMBL16626119

C=Cc1ccc(C(F)(F)C(F)(F)S(=O)(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.33
PTGS1 P23219 1/20 0.33
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
PTPN1 P18031 1/20 0.31
HDAC3 O15379 1/20 0.31
ADAM17 P78536 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
SCHEMBL16626118 0.82 TDP1 (0.40) TDP1ALDH1A1CYP1A2RORCTSHR
SCHEMBL13048624 0.81 TDP1 (0.52) TDP1ALDH1A1CYP1A2PTGS1RORC
SCHEMBL3870958 0.79 CES2 (0.45) MEN1MAPTKMT2A
SCHEMBL16626146 0.78 ALDH1A1 (0.58) TDP1ALDH1A1CYP1A2PTGS1SMN1; SMN2
SCHEMBL3873862 0.75 PTPN1 (0.49) ALDH1A1CYP1A2SMN1; SMN2TSHRPTPN1
SCHEMBL677360 0.75 TDP1 (0.44) TDP1ALDH1A1HDAC1HDAC8
SCHEMBL5013907 0.75 TDP1 (0.44) TDP1ALDH1A1KMT2A
SCHEMBL2742163 0.75 TDP1 (0.53) TDP1ALDH1A1RORC
SCHEMBL476554 0.74 ALDH1A1 (0.52) TDP1ALDH1A1CYP1A2PTGS1TSHR
4-Vinylphenol SCHEMBL27874479 0.74 TDP1 (0.52) TDP1ALDH1A1CYP1A2PTGS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
WO-2015050236-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME ダイキン工業株式会社 2015-04-09 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 (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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 TDP1 3957/4885ALDH1A1 1452/4885CYP1A2 237/4885

“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.