SCHEMBL6426486

SCHEMBL6426486

Cc1c(CC(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.52
PLA2G2A P14555 1/20 0.48
AKR1C3 P42330 9/20 0.47
AKR1C2 P52895 7/20 0.47
PTGS1 P23219 5/20 0.45
ABCB1 P08183 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PTGES O14684 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX5 P09917 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CXCL8 P10145 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL6425039 0.90 PTGS2 (0.52) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL5558176 0.90 PTGS2 (0.64) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL5559379 0.90 AKR1C3 (0.58) PTGS2AKR1C3AKR1C2PTGS1ABCB1
SCHEMBL6423963 0.90 PTGS2 (0.53) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL6424322 0.90 AKR1C3 (0.53) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL6423235 0.88 PTGS2 (0.52) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL6425799 0.88 PTGS2 (0.51) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL5560687 0.87 PTGS2 (0.51) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL6423455 0.87 PLA2G2A (0.52) PTGS2PLA2G2AAKR1C3AKR1C2PTGS1
SCHEMBL5799280 0.87 PTGS2 (0.53) PTGS2AKR1C3AKR1C2PTGS1MAPT

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 PTGS2 4/4885PLA2G2A 62/4885AKR1C3 577/4885

“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.