SCHEMBL16626121

SCHEMBL16626121

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PTPN1 P18031 2/20 0.31
SRD5A2 P31213 1/20 0.31
HSD11B1 P28845 1/20 0.30
NR1H3 Q13133 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL13048497 0.81 PTPN1 (0.46) CES2CES1PTPN1SRD5A2HSD11B1
SCHEMBL16626115 0.80 CES2 (0.39) CES2CES1PTPN1SRD5A2MEN1
SCHEMBL3870958 0.79 CES2 (0.45) CES2CES1SRD5A2HSD11B1MEN1
SCHEMBL20878712 0.75 CES2 (0.35) CES2CES1PTPN1SRD5A2MEN1
SCHEMBL3873862 0.75 PTPN1 (0.49) CES1PTPN1HSD11B1NR1H3TSHR
SCHEMBL16626123 0.73 CES2 (0.39) CES2CES1PTPN1SRD5A2MEN1
SCHEMBL13048611 0.72 CES2 (0.37) CES2CES1PTPN1SRD5A2HSD11B1
SCHEMBL14321470 0.72 CES2 (0.56) CES2CES1PTPN1SRD5A2MEN1
SCHEMBL19522145 0.72 CES2 (0.33) CES2CES1
SCHEMBL16626119 0.71 TDP1 (0.48) PTPN1MEN1TSHRKMT2AHDAC3

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 CES2 1223/4885CES1 3429/4885PTPN1 2171/4885

“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.