SCHEMBL4965015

SCHEMBL4965015

O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.82
ACLY P53396 2/20 0.42
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL714887 1.00 THRB (0.82) THRBACLYALDH1A1L3MBTL1HDAC1
SCHEMBL714707 1.00 THRB (0.82) THRBACLYALDH1A1L3MBTL1HDAC1
SCHEMBL713583 1.00 THRB (0.82) THRBACLYALDH1A1L3MBTL1HDAC1
SCHEMBL517575 1.00 THRB (0.82) THRBACLYALDH1A1L3MBTL1HDAC1
SCHEMBL517814 1.00 THRB (0.82) THRBACLYALDH1A1L3MBTL1HDAC1
SCHEMBL8563271 1.00 THRB (0.82) THRBACLYALDH1A1L3MBTL1HDAC1
Fluoride SCHEMBL6261467 0.97 THRB (0.78) THRBACLYALDH1A1L3MBTL1HDAC1
SCHEMBL11776383 0.97 THRB (0.78) THRBACLYALDH1A1L3MBTL1HDAC1
Ammonia Solution, Strong SCHEMBL28638201 0.97 THRB (0.78) THRBACLYALDH1A1L3MBTL1HDAC1
Ammonia Solution, Strong SCHEMBL28644453 0.97 THRB (0.78) THRBACLYALDH1A1L3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447314-B2 Treatment fluids containing a perfluorinated chelating agent and methods for use thereof HALLIBURTON ENERGY SERVICES, INC. (US) 2016-09-20 US disclosed
US-20160237339-A1 TREATMENT FLUIDS CONTAINING A PERFLUORINATED CHELATING AGENT AND METHODS FOR USE THEREOF HALLIBURTON ENERGY SERVICES, INC. (US) 2016-08-18 US disclosed
WO-2015053753-A1 TREATMENT FLUIDS CONTAINING A PERFLUORINATED CHELATING AGENT AND METHODS FOR USE THEREOF HALLIBURTON ENERGY SERVICES, INC. (US) 2015-04-16 WO disclosed
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-7049464-B2 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-23 US disclosed
US-20050261370-A1 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-24 US disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1548002-A1 PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACID AND METHOD OF SALT EXCHANGE FOR SALT THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2005-06-29 EP disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP 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 (3 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS THRB 3424/4885ACLY 644/4885ALDH1A1 1953/4885
US-20050261370-A1 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof ARSA, ADSL, ASS1 THRB 3200/4885ACLY 1026/4885ALDH1A1 623/4885
US-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B THRB 3571/4885ACLY 4664/4885ALDH1A1 2370/4885

“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.