SCHEMBL6425317

SCHEMBL6425317

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
PTGS1 P23219 3/20 0.39
BCL2 P10415 1/20 0.38
MDM2 Q00987 1/20 0.38
MCL1 Q07820 1/20 0.38
SRC P12931 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
ABCB1 P08183 2/20 0.35

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
SCHEMBL5559983 0.94 PTGS2 (0.45) PTGS2PTGS1LMNAMAPTAKR1C3
SCHEMBL6425105 0.92 AKR1C3 (0.41) PTGS2PTGS1SRCPRKACAPRKACG
SCHEMBL6426818 0.92 SRC (0.41) PTGS2PTGS1SRCPRKACAPRKACG
SCHEMBL6425594 0.90 SRC (0.44) PTGS2PTGS1BCL2MDM2MCL1
SCHEMBL6425703 0.90 BCL2 (0.32) PTGS2PTGS1BCL2MDM2MCL1
SCHEMBL6426346 0.87 PPARG (0.38) PTGS2PTGS1LMNAMAPTAKR1C3
SCHEMBL6423032 0.87 PPARG (0.40) PTGS2PTGS1LMNAMAPTAKR1C3
SCHEMBL6425556 0.87 BCL2 (0.40) PTGS2BCL2MDM2MCL1SRC
SCHEMBL6425666 0.87 PTGS2 (0.47) PTGS2PTGS1SRCLMNAMAPT
SCHEMBL6425519 0.87 PTGS2 (0.55) PTGS2PTGS1LMNAMAPTAKR1C3

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 7/4885BCL2 1878/4885

“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.