SCHEMBL5247017

SCHEMBL5247017

Fc1cc2nsnc2cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.48
TSHR P16473 2/20 0.38
ESR1 P03372 1/20 0.37
TDO2 P48775 1/20 0.37
PTPN11 Q06124 3/20 0.37
PTPN1 P18031 2/20 0.37
PTGS1 P23219 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
PTGS2 P35354 2/20 0.36
HPGD P15428 2/20 0.36
FABP2 P12104 1/20 0.36
AKR1C4 P17516 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL5243377 0.78 MAPT (0.43) MEN1KMT2AMAPTPTGS2CYP2C19
SCHEMBL5402168 0.76 BACE1 (0.50) ACLYTSHRESR1PTGS1MEN1
SCHEMBL5244458 0.75 PTGS2 (0.42) TDO2PTGS1MEN1KMT2AMAPT
SCHEMBL16890083 0.74 BACE1 (0.48) ACLYTSHRESR1PTGS1MEN1
SCHEMBL2726241 0.73 PTPN11 (0.44) TSHRPTPN11PTPN1MEN1KMT2A
SCHEMBL5244429 0.72 PTGS2 (0.46) MEN1KMT2APTGS2ALDH1A1NPC1
SCHEMBL28437243 0.72 ACLY (0.39) ACLYTSHRESR1PTPN11PTPN1
SCHEMBL5243400 0.70 MAPT (0.41) ACLYTSHRPTPN11MEN1KMT2A
SCHEMBL30250901 0.70 ALDH1A1 (0.39) ACLYTDO2PTPN11PTPN1MEN1
SCHEMBL6660461 0.70 FGFR1 (0.38) TSHRESR1PTGS1MEN1KMT2A

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 ACLY 3193/4885TSHR 4795/4885ESR1 1890/4885

“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.