SCHEMBL6426796

SCHEMBL6426796

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 2/20 0.47
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ELANE P08246 2/20 0.38
PPARG P37231 1/20 0.38
PTGES O14684 1/20 0.37

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
SCHEMBL6426794 1.00 PTGS2 (0.47) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6424488 1.00 PTGS2 (0.47) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6425712 1.00 PTGS2 (0.47) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6424490 1.00 PTGS2 (0.47) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6425875 0.90 PTGS2 (0.47) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6424124 0.89 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2APPARG
SCHEMBL5561254 0.89 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2APPARG
SCHEMBL5561258 0.89 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2APPARG
SCHEMBL6424748 0.89 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2APPARG
SCHEMBL6424752 0.89 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2APPARG

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.