SCHEMBL6425866

SCHEMBL6425866

CC[C@H](C(=O)O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.49
PTGS1 P23219 4/20 0.49
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ELANE P08246 2/20 0.39
PTGES O14684 1/20 0.38
PPARG P37231 1/20 0.38
ABCB1 P08183 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
SCHEMBL6425957 1.00 PTGS2 (0.49) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL5554643 0.93 PTGS2 (0.50) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6423909 0.92 PTGS2 (0.48) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6423438 0.92 PTGS2 (0.48) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6425196 0.91 PTGS2 (0.46) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6425024 0.91 PTGS2 (0.46) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL5559002 0.91 PTGS2 (0.48) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6423955 0.90 PTGS2 (0.46) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6424820 0.90 PTGS2 (0.46) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6424180 0.90 PTGS2 (0.48) PTGS2PTGS1MEN1POLBKMT2A

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 7/4885MEN1 3824/4885

“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.