SCHEMBL4786573

SCHEMBL4786573

O=S(=O)(c1ccc(Sc2cccc3cccnc23)c2nonc12)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD11B1 P28845 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
CREBBP Q92793 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4788589 0.92 PKLR (0.45) ALDH1A1L3MBTL1MAPTMAPK1GAA
SCHEMBL4786322 0.92 PKLR (0.45) CCR1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL4786465 0.92 PKLR (0.47) CCR1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL4786353 0.89 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL4788077 0.88 PKLR (0.47) ALDH1A1L3MBTL1GAA
SCHEMBL4787844 0.88 L3MBTL1 (0.50) CCR1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL4785450 0.88 CCR1 (0.46) CCR1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL4787598 0.87 PKLR (0.48) ALDH1A1L3MBTL1GAAMEN1KMT2A
SCHEMBL4816303 0.86 CCR1 (0.46) CCR1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL8150778 0.86 L3MBTL1 (0.41) ALDH1A1L3MBTL1MAPTHTTSMN1; SMN2

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
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 CCR1 4121/4885ALDH1A1 2627/4885L3MBTL1 2603/4885

“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.