SCHEMBL6426366

SCHEMBL6426366

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
PTGS1 P23219 3/20 0.46
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ELANE P08246 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTGES O14684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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
SCHEMBL6423957 0.94 PTGS1 (0.48) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL6423441 0.91 PTGS1 (0.48) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL6423722 0.89 PTGS2 (0.59) PTGS2PTGS1MEN1KMT2APPARG
SCHEMBL6425614 0.89 PTGS2 (0.59) PTGS2PTGS1MEN1KMT2APPARG
SCHEMBL6426708 0.89 AKR1C3 (0.44) PTGS2PTGS1CNR2ELANEMEN1
SCHEMBL6425945 0.88 PTGS2 (0.47) PTGS2PTGS1PPARGAKR1C3AKR1C2
SCHEMBL6424197 0.86 ELANE (0.36) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL6425393 0.86 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6465812 0.85 PTGS2 (0.45) PTGS2PTGS1PPARGAKR1C3AKR1C2
SCHEMBL6425868 0.85 PTGS1 (0.49) PTGS2PTGS1CNR1CNR2ELANE

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 7/4885CNR1 55/4885

“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.