SCHEMBL6425868

SCHEMBL6425868

Cc1c(C(C)(C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PPARG P37231 4/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
PPARD Q03181 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 1/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL6425427 0.89 PTGS1 (0.47) PTGS1PTGS2CNR1CNR2PPARG
SCHEMBL6423740 0.88 PTGS1 (0.64) PTGS1PTGS2CNR2PPARGAKR1C3
SCHEMBL6424184 0.88 PTGS2 (0.46) PTGS1PTGS2CNR1CNR2PPARG
SCHEMBL6423441 0.88 PTGS1 (0.48) PTGS1PTGS2CNR1CNR2PPARG
SCHEMBL6428254 0.87 AKR1C3 (0.47) PTGS1PTGS2AKR1C3AKR1C2GAA
SCHEMBL6423957 0.87 PTGS1 (0.48) PTGS1PTGS2CNR1CNR2PPARG
SCHEMBL6423502 0.86 PTGS1 (0.50) PTGS1PTGS2PPARGAKR1C3AKR1C2
SCHEMBL6426366 0.85 PTGS2 (0.46) PTGS1PTGS2CNR1CNR2PPARG
SCHEMBL6425026 0.84 PTGS2 (0.46) PTGS1PTGS2CNR1CNR2PPARG
SCHEMBL6423355 0.84 PTGS2 (0.43) PTGS1PTGS2CNR1CNR2PPARG

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 PTGS1 7/4885PTGS2 4/4885CNR1 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.