SCHEMBL4859176

SCHEMBL4859176

C[Si](C)(C)c1cc2c(Br)cccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.41
SRC P12931 1/20 0.41
CXCL8 P10145 1/20 0.40
NOD1 Q9Y239 1/20 0.40
LMNA P02545 2/20 0.39
AGTR1 P30556 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL30644289 0.83 HTR6 (0.46) HTR6SRCLMNAAGTR1CA12
SCHEMBL597369 0.83 HTR6 (0.46) HTR6SRCLMNAAGTR1CA12
SCHEMBL4313903 0.79 PTGDR2 (0.43) HTR6SRCLMNA
SCHEMBL31304851 0.79 HTR6 (0.44) HTR6SRCCXCL8NOD1AGTR1
SCHEMBL4852200 0.77 HTR6 (0.49) HTR6SRCLMNAAGTR1HTR1A
SCHEMBL16812952 0.77 HTR6 (0.48) HTR6SRCLMNAAGTR1HTR1A
SCHEMBL4543865 0.76 MTNR1B (0.47) HTR6SRCAGTR1HTR1ADRD2
SCHEMBL28200484 0.76 MTNR1B (0.44) HTR6SRCCXCL8NOD1AGTR1
SCHEMBL2431470 0.76 HTR6 (0.50) HTR6SRCCXCL8NOD1AGTR1
SCHEMBL16796488 0.75 SRC (0.47) HTR6SRCLMNAAGTR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 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 (2 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB HTR6 1111/4885SRC 3762/4885CXCL8 3517/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB HTR6 1102/4885SRC 3474/4885CXCL8 3222/4885

“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.