SCHEMBL16214830

SCHEMBL16214830

O=C(CC12CC3CC(CC(O)(C3)C1)C2)OCCCC(F)(F)C(F)(F)[SH](=O)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL16214876 0.97 ALDH1A1 (0.48) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL16214841 0.93 ALDH1A1 (0.51) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL16214834 0.88 ALDH1A1 (0.43) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL16214016 0.86 ALDH1A1 (0.51) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL16214875 0.85 ALDH1A1 (0.42) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL16214034 0.83 ALDH1A1 (0.50) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL16214818 0.82 ALDH1A1 (0.46) ALDH1A1GAALMNANPSR1L3MBTL1
SCHEMBL16214829 0.81 ALDH1A1 (0.45) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL12556624 0.80 ALDH1A1 (0.46) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL16214015 0.79 ALDH1A1 (0.53) ALDH1A1THRBKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877960-B2 Fluoroalkanesulfonic acid ammonium salts and method for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-11-04 US disclosed
US-20110313190-A1 Fluoroalkanesulfonic Acid Ammonium Salts and Method for Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-22 US 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-20110313190-A1 Fluoroalkanesulfonic Acid Ammonium Salts and Method for Producing Same PFAS, ARSA, NOTUM ALDH1A1 1460/4885THRB 4382/4885KMT2A 2487/4885

“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.