SCHEMBL16214841

SCHEMBL16214841

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.31
RAD52 P43351 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
SCHEMBL16214830 0.93 ALDH1A1 (0.49) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL16214876 0.92 ALDH1A1 (0.48) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL16214829 0.88 ALDH1A1 (0.45) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL16214015 0.86 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL16214843 0.81 ALDH1A1 (0.47) ALDH1A1GAALMNANPSR1POLB
SCHEMBL16214834 0.81 ALDH1A1 (0.43) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL16214875 0.80 ALDH1A1 (0.42) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL16214016 0.79 ALDH1A1 (0.51) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL16214034 0.78 ALDH1A1 (0.50) ALDH1A1THRBMEN1KMT2AGAA
SCHEMBL12556624 0.75 ALDH1A1 (0.46) ALDH1A1THRBMEN1KMT2AGAA

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 4382/4885MEN1 4487/4885

“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.