SCHEMBL5559161

SCHEMBL5559161

CCC(C(=O)O)c1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(Cl)c(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
PTGS1 P23219 2/20 0.53
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 3/20 0.47
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PPARG P37231 4/20 0.40
ABCB1 P08183 1/20 0.39
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 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
SCHEMBL6426875 0.93 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2CYP1A1
SCHEMBL5553901 0.91 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2CYP1A1
SCHEMBL6424523 0.90 AKR1C3 (0.48) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425958 0.90 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL6423959 0.90 PTGS2 (0.66) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6424813 0.90 PTGS2 (0.57) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6424707 0.89 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6424787 0.89 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2CYP1A1
SCHEMBL6426557 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425981 0.89 PTGS2 (0.51) PTGS2PTGS1AKR1C3AKR1C2CYP1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO 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 7/4885AKR1C3 577/4885

“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.