SCHEMBL6423903

SCHEMBL6423903

CNC(=O)Cc1c(C)n(C(=O)c2ccc(F)c(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.48
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
PTGS1 P23219 4/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6424432 0.92 PTGS2 (0.47) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL6422771 0.92 PTGS2 (0.58) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5553723 0.90 PTGS2 (0.43) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL6423105 0.89 PTGS2 (0.46) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5558614 0.89 PTGS2 (0.43) PTGS2
SCHEMBL5560267 0.88 PTGS2 (0.48) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5554153 0.88 AKR1C3 (0.53) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5558681 0.88 PTGS2 (0.43) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5553921 0.88 PTGS2 (0.46) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5558731 0.88 PTGS2 (0.52) PTGS2AKR1C3AKR1C2PTGS1

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 4/4885AKR1C3 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.