SCHEMBL6424358

SCHEMBL6424358

Cc1ccc(C(=O)n2c(C)c(C(C(=O)O)C(C)C)c3cc(O)c(Cl)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.40
PTGS1 P23219 3/20 0.39
SRC P12931 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
ABCB1 P08183 2/20 0.36
ENPP3 O14638 1/20 0.36
ALPL P05186 1/20 0.36
XIAP P98170 1/20 0.36

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
SCHEMBL5559705 0.94 PTGS2 (0.47) PTGS2PTGS1LMNAMAPTAKR1C3
SCHEMBL5558720 0.92 SRC (0.42) PTGS2PTGS1SRCAKR1C3AKR1C2
SCHEMBL5558569 0.92 AKR1C3 (0.42) PTGS2PTGS1SRCAKR1C3AKR1C2
SCHEMBL6425666 0.90 PTGS2 (0.47) PTGS2PTGS1SRCLMNAMAPT
SCHEMBL6424152 0.90 PTGS2 (0.39) PTGS2PTGS1SRCLMNAMAPT
SCHEMBL6425008 0.90 PTGS2 (0.39) PTGS2PTGS1SRCLMNAMAPT
SCHEMBL6424154 0.90 PTGS2 (0.39) PTGS2PTGS1SRCLMNAMAPT
SCHEMBL6424964 0.90 PTGS2 (0.39) PTGS2PTGS1SRCLMNAMAPT
SCHEMBL6425011 0.90 PTGS2 (0.39) PTGS2PTGS1SRCLMNAMAPT
SCHEMBL5560858 0.89 PTGS2 (0.33) PTGS2PTGS1ENPP3ALPLXIAP

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 7/4885SRC 3467/4885

“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.