SCHEMBL23134263

SCHEMBL23134263

CCC(CC)OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
MIF P14174 1/20 0.44
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
MAOB P27338 2/20 0.42
IDO1 P14902 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
DAO P14920 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14263144 0.82 TAAR1 (0.50) TAAR1MIFPPARDPPARAMAOB
SCHEMBL28859175 0.80 PPARA (0.42) TAAR1MIFPPARDPPARAMAOB
SCHEMBL23134271 0.79 MEN1 (0.44) TAAR1PPARDPPARAMAOBIDO1
SCHEMBL28956156 0.79 PPARA (0.52) PPARDPPARAHRH3
SCHEMBL14263243 0.78 MAOB (0.53) TAAR1MAOBIDO1MEN1KMT2A
SCHEMBL27830060 0.77 TAAR1 (0.52) TAAR1MIFPPARDPPARAMAOB
SCHEMBL14274242 0.76 TAAR1 (0.55) TAAR1MIFPPARDPPARAMAOB
SCHEMBL6003117 0.75 PTGES (0.46) TAAR1PPARDPPARAMAOBIDO1
SCHEMBL1696674 0.73 TAAR1 (0.61) TAAR1MIFMAOBIDO1KCNH2
SCHEMBL934227 0.72 TAAR1 (0.73) TAAR1MIFMAOBIDO1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 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-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 TAAR1 2233/4885MIF 1153/4885PPARD 293/4885

“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.