SCHEMBL6425939

SCHEMBL6425939

Cc1c(CC(N)=O)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.47
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
PTGS2 P35354 1/20 0.41
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL5558739 0.90 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2NPSR1LMNA
SCHEMBL5559612 0.90 PLA2G2A (0.49) PLA2G2AAKR1C3AKR1C2PTGS2MAPT
SCHEMBL6424911 0.88 AKR1C3 (0.45) PLA2G2AAKR1C3AKR1C2PTGS2NPSR1
SCHEMBL6424244 0.87 PLA2G2A (0.44) PLA2G2AAKR1C3AKR1C2PTGS2NPSR1
SCHEMBL6424277 0.86 PTGS2 (0.46) PLA2G2AAKR1C3AKR1C2PTGS2NPSR1
SCHEMBL5801149 0.86 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2NPSR1LMNA
SCHEMBL5559334 0.85 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2NPSR1LMNA
SCHEMBL5560684 0.85 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2NPSR1SMN1; SMN2
SCHEMBL6426730 0.84 PTGS2 (0.47) PLA2G2AAKR1C3AKR1C2PTGS2NPSR1
SCHEMBL6465001 0.84 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2NPSR1LMNA

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 PLA2G2A 62/4885AKR1C3 577/4885AKR1C2 563/4885

“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.