SCHEMBL5282078

SCHEMBL5282078

O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c2nonc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.61
RORA P35398 1/20 0.52
RORC P51449 1/20 0.52
NR1H2 P55055 1/20 0.52
PFKFB3 Q16875 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SLC40A1 Q9NP59 3/20 0.46
CCKBR P32239 1/20 0.46
NLRP3 Q96P20 1/20 0.46
CCR2 P41597 3/20 0.45
CCR1 P32246 1/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
BRD4 O60885 1/20 0.44
EDNRA P25101 2/20 0.43
EDNRB P24530 1/20 0.43

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
SCHEMBL6394345 0.86 ACLY (0.56) MCL1RORARORCNR1H2PFKFB3
SCHEMBL5299209 0.86 MEN1 (0.58) TSHRKMT2AMEN1ALDH1A1POLB
SCHEMBL5244572 0.84 KMT2A (0.63) MCL1KMT2AMEN1ALDH1A1CCKBR
SCHEMBL5247934 0.84 CCKBR (0.50) MCL1RORARORCNR1H2PFKFB3
SCHEMBL5303826 0.80 ATM (0.57) MCL1RORARORCNR1H2PFKFB3
SCHEMBL5287473 0.79 ACLY (0.54) MCL1RORARORCNR1H2PFKFB3
SCHEMBL8145375 0.78 RORA (0.53) RORARORCNR1H2PFKFB3KMT2A
SCHEMBL5244185 0.78 RORA (0.50) MCL1RORARORCNR1H2PFKFB3
SCHEMBL5244817 0.78 RORA (0.53) RORARORCNR1H2PFKFB3KMT2A
SCHEMBL5299664 0.77 RORA (0.61) RORARORCNR1H2PFKFB3HPGD

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
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
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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 (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 MCL1 659/4885RORA 2756/4885RORC 2031/4885

“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.