SCHEMBL138368

SCHEMBL138368

O=S(=O)(NCc1ccccc1F)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
RECQL P46063 1/20 0.53
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CA2 P00918 2/20 0.46
GRIA4 P48058 1/20 0.46
RIPK1 Q13546 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MPO P05164 2/20 0.42
CA1 P00915 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL139590 0.81 HPGD (0.51) LMNAKMT2APTGS1PTGS2CA2
SCHEMBL138377 0.81 NPSR1 (0.46) LMNAKMT2ARECQLCA2NPSR1
SCHEMBL140457 0.81 PTGS1 (0.50) LMNAKMT2AMEN1PTGS1PTGS2
SCHEMBL140452 0.81 MEN1 (0.55) LMNAKMT2AGAAMEN1PTGS1
SCHEMBL138380 0.80 CA2 (0.47) LMNAKMT2APTGS1PTGS2CA2
SCHEMBL20906520 0.78 CA2 (0.64) LMNAKMT2AMEN1CA2CA1
SCHEMBL17201441 0.78 CA2 (0.55) LMNACA2CA1
SCHEMBL139697 0.78 PTGS1 (0.48) LMNAKMT2AGAAMEN1RECQL
SCHEMBL13089966 0.78 IDO1 (0.47) LMNAKMT2AMEN1PTGS1PTGS2
SCHEMBL16057169 0.78 LMNA (0.72) LMNAKMT2AGAAMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059179-A1 PALLADIUM-CATALYZED ORTHO-FLUORINATION The Scripps Research Insitiute (US) 2012-03-08 US disclosed
WO-2010115098-A2 PALLADIUM-CATALYZED ORTHO-FLUORINATION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-07 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-20120059179-A1 PALLADIUM-CATALYZED ORTHO-FLUORINATION POF1B, OCIAD2, ODC1 LMNA 4407/4885KMT2A 275/4885GAA 3879/4885

“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.