SCHEMBL5889148

SCHEMBL5889148

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
ACLY P53396 2/20 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
SCHEMBL5681332 0.87 ALDH1A1 (0.33) ALDH1A1L3MBTL1THRBTSHRTP53
Ammonia Solution, Strong SCHEMBL9241038 0.84 ALDH1A1 (0.32) ALDH1A1L3MBTL1THRB
SCHEMBL4948143 0.81
SCHEMBL1155750 0.79
SCHEMBL28515435 0.79
SCHEMBL28573035 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1THRBTSHRTP53
SCHEMBL29963834 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1THRBTSHRTP53
Fluoride SCHEMBL4290491 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1THRBTSHRTP53
SCHEMBL28445979 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1THRBTSHRTP53
SCHEMBL10838382 0.74 ALDH1A1 (0.38) ALDH1A1L3MBTL1THRBTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20050261370-A1 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof ARSA, ADSL, ASS1 ALDH1A1 623/4885L3MBTL1 3962/4885THRB 3200/4885

“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.