SCHEMBL4784036

SCHEMBL4784036

CC1CC(C)CN(S(=O)(=O)c2ccc(Sc3cccc4cccnc34)c3nonc23)C1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
GFER P55789 1/20 0.67
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNT2 Q6UVM3 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4785121 0.91 TSHR (0.54) TSHRGFERPOLBL3MBTL1ALDH1A1
SCHEMBL4745387 0.87 TSHR (0.51) TSHRGFERPOLBALDH1A1HPGD
SCHEMBL5244145 0.85 L3MBTL1 (0.50) TSHRGFERL3MBTL1ALDH1A1ALOX15
SCHEMBL4787514 0.85 L3MBTL1 (0.52) TSHRGFERL3MBTL1ALDH1A1HTT
SCHEMBL4787284 0.84 TSHR (0.52) TSHRGFERPOLBALDH1A1HPGD
SCHEMBL4786255 0.83 L3MBTL1 (0.48) TSHRGFERL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4787200 0.81 TSHR (0.43) TSHRGFERPOLBALDH1A1SMN1; SMN2
SCHEMBL5242720 0.80 ALDH1A1 (0.67) TSHRPOLBL3MBTL1ALDH1A1HTT
SCHEMBL5242949 0.79 ALDH1A1 (0.53) TSHRGFERPOLBL3MBTL1ALDH1A1
SCHEMBL4745401 0.79 TSHR (0.47) TSHRGFERL3MBTL1ALDH1A1HTT

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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed
EP-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP TSHR 4795/4885GFER 2796/4885POLB 2997/4885

“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.