SCHEMBL570263

SCHEMBL570263

C=Cc1ccc(C(=O)C(F)(F)S(=O)(=O)O)cc1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
CES1 P23141 1/20 0.32
CA2 P00918 1/20 0.32
AKR1C3 P42330 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL569646 0.98 TDP1 (0.47) TDP1ALDH1A1GAAMAPTNFKB1
SCHEMBL14962768 0.85 TDP1 (0.43) TDP1ALDH1A1GAAMAPTNFKB1
Lithium Ion SCHEMBL570262 0.82 TDP1 (0.44) TDP1ALDH1A1GAAMAPTNFKB1
SCHEMBL942133 0.78 CES1 (0.54) TDP1ALDH1A1TAS1R3TAS1R1CES1
SCHEMBL14962761 0.77 TSHR (0.48) ALDH1A1GAAMAPTNFKB1RAB9A
SCHEMBL569725 0.74 CES1 (0.59) TDP1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL13446312 0.74 TDP1 (0.43) TDP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL25779915 0.74 TDP1 (0.43) TDP1ALDH1A1GAAMAPTNFKB1
SCHEMBL26488823 0.74 SNCA (0.39) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9963688 0.73 SNCA (0.39) TDP1ALDH1A1SMN1; SMN2L3MBTL1TAS1R3

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-9708254-B2 Superacid functional compounds ARKEMA INC. (US) 2017-07-18 US disclosed
US-20130131201-A1 SUPERACID FUNCTIONAL COMPOUNDS ARKEMA INC. (US) 2013-05-23 US disclosed
WO-2012018709-A2 SUPERACID FUNCTIONAL COMPOUNDS ARKEMA INC. (US) 2012-02-09 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-20130131201-A1 SUPERACID FUNCTIONAL COMPOUNDS AFF1, AFF2, AFF4 TDP1 2912/4885ALDH1A1 1657/4885GAA 941/4885

“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.