SCHEMBL6425842

SCHEMBL6425842

CNC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(F)c(OC)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.59
AKR1C3 P42330 4/20 0.55
AKR1C2 P52895 3/20 0.55
PTGS1 P23219 3/20 0.53
MAPT P10636 2/20 0.52
TP53 P04637 2/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6425056 0.94 PTGS2 (0.59) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5560474 0.92 PTGS2 (0.57) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL6425664 0.90 AKR1C3 (0.59) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5559194 0.90 PTGS2 (0.48) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL6426445 0.90 PTGS2 (0.54) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL6423472 0.89 PTGS2 (0.59) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5555147 0.89 PTGS2 (0.56) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5558752 0.89 PTGS2 (0.58) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL5433909 0.89 AKR1C3 (0.68) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL6425901 0.88 PTGS2 (0.54) 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 4/4885AKR1C3 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.