SCHEMBL6424911

SCHEMBL6424911

CNC(=O)Cc1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)c(F)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 5/20 0.45
PTGS2 P35354 3/20 0.43
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 4/20 0.37
KCNH2 Q12809 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL5554446 0.90 PTGS2 (0.48) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL5801149 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL5560684 0.89 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL5558739 0.89 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL5558847 0.88 AKR1C3 (0.42) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL6465001 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL5559371 0.88 PTGS2 (0.46) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL6426606 0.88 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL6425939 0.88 PLA2G2A (0.47) AKR1C3AKR1C2PTGS2MAPTNPSR1
SCHEMBL5800887 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2MAPTNPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS2 4/4885

“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.