SCHEMBL5244458

SCHEMBL5244458

Cc1ccc(-c2cc3nsnc3cc2F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PTGS1 P23219 2/20 0.41
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.34
TDO2 P48775 1/20 0.34
ALOX12 P18054 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL25840018 0.82 PTGS2 (0.51) PTGS2PTGS1MAPTNPC1AKR1C3
SCHEMBL5244685 0.77 PTGS2 (0.36) PTGS2AKR1C3AKR1C2
SCHEMBL5244429 0.76 PTGS2 (0.46) PTGS2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5243377 0.75 MAPT (0.43) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5247017 0.75 ACLY (0.48) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL19912967 0.72 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2PDE3B
SCHEMBL5243400 0.72 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15715193 0.72 SMN1; SMN2 (0.39) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5048773 0.69 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL10304724 0.69 PTGS2 (0.47) PTGS2PTGS1

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 5 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
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 PTGS2 2707/4885PTGS1 2237/4885MAPT 1681/4885

“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.