SCHEMBL27094597

SCHEMBL27094597

O=C1c2ccccc2C(=O)N1CCCCCC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CHRM2 P08172 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
ACHE P22303 4/20 0.51

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
SCHEMBL29263643 1.00 TDP1 (0.58) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL29381867 1.00 TDP1 (0.58) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL28707214 1.00 TDP1 (0.58) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL6150030 0.85 GLS (0.55) TDP1L3MBTL1CYP1A2CYP2C19ACHE
SCHEMBL8862878 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL2604742 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL6777483 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8862728 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8863154 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8863094 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
EP-4323348-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF Studiengesellschaft Kohle gGmbH (DE) 2024-02-21 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-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF CYP4F3, GTF3C3, GTF3C4 TDP1 3277/4885L3MBTL1 4364/4885CHRM2 2014/4885

“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.