SCHEMBL5186016

SCHEMBL5186016

CC(C)S(=O)(=O)On1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
SLC9A1 P19634 4/20 0.43
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
KMT2A Q03164 2/20 0.41
APAF1 O14727 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
SCHEMBL958454 0.82 TSHR (0.50) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL6273531 0.82 TSHR (0.53) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL19586683 0.79 NPSR1 (0.44) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL2803342 0.76 SLC9A1 (0.55) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL7198576 0.76 TSHR (0.48) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL11449419 0.75 TSHR (0.46) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL28056245 0.75 SLC9A1 (0.46) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL9612373 0.75 TSHR (0.53) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL2801877 0.75 SLC9A1 (0.59) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL11450016 0.74 SLC9A1 (0.49) TSHRNPSR1RXFP1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1330233-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2003-07-30 EP disclosed
WO-2002032389-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2002-04-25 WO disclosed
EP-1183232-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000066546-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2000-11-09 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-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 TSHR 2527/4885NPSR1 257/4885RXFP1 1695/4885

“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.