SCHEMBL1267152

SCHEMBL1267152

CS(=O)(=O)O[C@H]1CCO[C@@H](c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MOGAT2 Q3SYC2 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP19A1 P11511 1/20 0.32
KDM1A O60341 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1267155 1.00 TSHR (0.38) TSHRMOGAT2CHRM2CHRM3CHRM5
SCHEMBL17158504 0.86 SLC6A4 (0.33) KDM1ASLC6A2
SCHEMBL17158546 0.86 SLC6A2 (0.33) SLC6A2
SCHEMBL7973699 0.85 TSHR (0.48) TSHRMOGAT2CHRM2CHRM3CHRM5
SCHEMBL17161169 0.79 CHRNB2 (0.39)
SCHEMBL17161157 0.78
SCHEMBL25067473 0.77 HCRTR2 (0.31) CYP2D6
SCHEMBL17196410 0.77
SCHEMBL17161264 0.77 CHRNA7 (0.36)
SCHEMBL17158570 0.77 SLC6A2 (0.36) CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 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-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 TSHR 3899/4885MOGAT2 4043/4885CHRM2 1295/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 TSHR 3899/4885MOGAT2 4043/4885CHRM2 1295/4885

“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.