SCHEMBL6551637

SCHEMBL6551637

O=C1c2ccsc2CCC1(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.35
CES1 P23141 1/20 0.34
USP2 O75604 1/20 0.34
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PIM1 P11309 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 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
SCHEMBL4803440 0.81 NOS2 (0.33) NOS2CES1USP2PLK4CHEK1
SCHEMBL15605993 0.77 GRM5 (0.36) NOS2CES1USP2PLK4CHEK1
SCHEMBL15219995 0.68 CES1 (0.50) NOS2CES1USP2PLK4CHEK1
SCHEMBL4461844 0.67 SIGMAR1 (0.53) CES1USP2LMNADRD2HTR2A
SCHEMBL6283184 0.66 KMT2A (0.36) USP2LMNA
SCHEMBL1747122 0.66
SCHEMBL3147129 0.63 USP2 (0.52) NOS2CES1USP2PLK4CHEK1
SCHEMBL591910 0.62
SCHEMBL4805805 0.61 HTR2C (0.39) NOS2CES1USP2PLK4CHEK1
SCHEMBL31668777 0.61 GRM5 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US disclosed
EP-1409476-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003006455-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2003-01-23 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E NOS2 1571/4885CES1 1144/4885USP2 4432/4885

“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.