SCHEMBL5186089

SCHEMBL5186089

CCCS(=O)(=O)NCC(C)(F)c1ccc(NC(=O)c2[c]ccs2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
RAB9A P51151 3/20 0.35
TRPV1 Q8NER1 2/20 0.34
LMNA P02545 3/20 0.34
TRPA1 O75762 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 4/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
NPC1 O15118 1/20 0.33
RORC P51449 1/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
S1PR2 O95136 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL5186149 0.89 CYP2C19 (0.34) MEN1KMT2ARAB9ATRPV1LMNA
SCHEMBL5187806 0.81 NPC1 (0.52) MEN1KMT2ARAB9ATRPV1LMNA
SCHEMBL6561643 0.77 ALDH1A1 (0.39) KDM4EALDH1A1CA1CA2HTT
SCHEMBL5186238 0.74 SIRT1 (0.48) MEN1KMT2APOLBCA1CA2
SCHEMBL5187425 0.74 P4HTM (0.43) RAB9ATRPV1KDM4ENPC1ALDH1A1
SCHEMBL5187875 0.73 MAPK1 (0.42) MEN1KMT2ARAB9ATRPV1LMNA
SCHEMBL5187909 0.72 MEN1 (0.43) MEN1KMT2ARAB9ATRPV1LMNA
SCHEMBL5187426 0.71 GRIA4 (0.41) TP53KDM4EALDH1A1
SCHEMBL5186074 0.71 HSD17B10 (0.36) TRPV1KDM4EALDH1A1CA1CA2
SCHEMBL5187403 0.70 HDAC4 (0.43) KMT2ALMNAEPHX2KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP claimed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US claimed
JP-2002543177-A 2002-12-17 JP claimed
EP-1183232-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2002-03-06 EP claimed
WO-2000066546-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2000-11-09 WO claimed
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US disclosed
EP-1330233-B1 METHOD OF TREATING STROKE LILLY CO ELI (US) 2005-02-02 EP disclosed
US-20040063680-A1 Method of treating stroke CLEMENS JAMES ALLEN (US) 2004-04-01 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-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 MEN1 1749/4885KMT2A 2920/4885RAB9A 2682/4885

“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.