SCHEMBL5889094

SCHEMBL5889094

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
LMNA P02545 2/20 0.33
CA2 P00918 1/20 0.33
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRR3 A8MPY1 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5889091 1.00 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL17746877 0.81 TSHR (0.40) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL9242795 0.77 TSHR (0.36) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL8733237 0.77 TSHR (0.36) TSHRTP53EGLN1EGLN3
SCHEMBL17186622 0.77
SCHEMBL4791763 0.77
SCHEMBL408424 0.77
SCHEMBL239930 0.77
SCHEMBL899316 0.74 TSHR (0.44) TSHRTP53EGLN1EGLN3LMNA
Hydrochloric Acid SCHEMBL9396950 0.74

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 TSHR 2671/4885TP53 3930/4885EGLN1 1987/4885

“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.