SCHEMBL6423449

SCHEMBL6423449

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.70
PTGS1 P23219 4/20 0.70
MAPT P10636 3/20 0.57
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 2/20 0.55
TP53 P04637 1/20 0.54
PTGES O14684 1/20 0.54
ALOX5 P09917 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL5560068 0.94 PTGS2 (0.79) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559454 0.92 PTGS2 (0.67) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559478 0.92 PTGS2 (0.67) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559028 0.90 PTGS2 (0.56) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559359 0.90 PTGS2 (0.67) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5554229 0.89 PTGS2 (0.64) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5800846 0.89 PTGS2 (0.66) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5800363 0.89 PTGS2 (0.64) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5435359 0.89 PTGS1 (0.88) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559164 0.88 PTGS2 (0.71) PTGS2PTGS1MAPTAKR1C3AKR1C2

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 4/4885PTGS1 7/4885MAPT 4401/4885

“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.