SCHEMBL1786356

SCHEMBL1786356

CC(=O)OC(Br)C(Cc1ccccc1)S(F)(F)(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 1/20 0.40
CTRB1 P17538 6/20 0.39
CYP1A2 P05177 1/20 0.39
SRR Q9GZT4 2/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
ALPG P10696 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4577844 0.79 ALDH1A1 (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4577144 0.79 ALDH1A1 (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL31553563 0.73 ALDH1A1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9028692 0.72 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3505882 0.72 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5617244 0.72 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1785597 0.71 TRPA1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8467355 0.71 ALDH1A1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8921434 0.70 ALDH1A1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3712940 0.70 PPARG (0.51) ALPIPKMPTGS1XIAPSLC7A5

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-20110124891-A1 ALPHA-PENTAFLUOROSULFANYL ALDEHYDES, KETONES AND ACIDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2011-05-26 US disclosed
US-20110124891-A1 ALPHA-PENTAFLUOROSULFANYL ALDEHYDES, KETONES AND ACIDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2011-05-26 US disclosed
WO-2009026191-A1 ALPHA-PENTAFLUOROSUFANYL ALDEHYDES, KETONES AND ACIDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-02-26 WO 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-20110124891-A1 ALPHA-PENTAFLUOROSULFANYL ALDEHYDES, KETONES AND ACIDS CBR1, CBR3, AKR1C3 ALPI 4743/4885PKM 858/4885PTGS1 1339/4885

“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.