SCHEMBL13868982

SCHEMBL13868982

Cc1ccc(S(=O)(=O)OC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 4/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
P2RX7 Q99572 2/20 0.35
STAT3 P40763 1/20 0.35
MMP13 P45452 2/20 0.34
CTSK P43235 2/20 0.34

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
SCHEMBL10209786 0.91 ALDH1A1 (0.46) TSHRCA2CA1CA7CA4
SCHEMBL10569435 0.83 CA2 (0.54) LMNATSHRMEN1KMT2ACA2
SCHEMBL13868981 0.82 LMNA (0.65) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL18193737 0.81 LMNA (0.66) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL10570309 0.81 CA2 (0.48) LMNATSHRCA2CA1CA7
SCHEMBL30096784 0.81 CA2 (0.46) LMNATSHRMEN1KMT2ACA2
SCHEMBL10209758 0.79 ALDH1A1 (0.43) LMNATSHRMEN1KMT2ACA2
SCHEMBL2198233 0.79 ALDH1A1 (0.40) LMNATSHRCA2CA1CA7
SCHEMBL2198241 0.79 ALDH1A1 (0.40) LMNATSHRCA2CA1CA7
SCHEMBL2198236 0.79 ALDH1A1 (0.40) LMNATSHRCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7518017-B2 Fenicol compounds and methods synthesizing 2-trifluoroacetamido-3-substituted propiophenone compounds IDEXX LABORATORIES (US) 2009-04-14 US disclosed
US-7518017-B2 Fenicol compounds and methods synthesizing 2-trifluoroacetamido-3-substituted propiophenone compounds IDEXX LABORATORIES (US) 2009-04-14 US disclosed
EP-1953138-A2 Fenicol compounds and methods of synthesizing 2-trifluoracetamido-3-substituted propiophenone compounds IDEXX LABORATORIES, INC. (US) 2008-08-06 EP disclosed
US-20070197823-A1 Fenicol compounds and methods synthesizing 2-trifluoroacetamido-3-substituted propiophenone compounds IDEXX LABORATORIES, INC. 2007-08-23 US disclosed
US-20070197823-A1 Fenicol compounds and methods synthesizing 2-trifluoroacetamido-3-substituted propiophenone compounds IDEXX LABORATORIES, INC. 2007-08-23 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-20070197823-A1 Fenicol compounds and methods synthesizing 2-trifluoroacetamido-3-substituted propiophenone compounds ADRB1, ADRB2, ADRA1A LMNA 1515/4885TSHR 525/4885MEN1 1186/4885

“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.