SCHEMBL5560447

SCHEMBL5560447

CC[C@@H](CCC(N)=O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
PPARG P37231 11/20 0.38
PPARA Q07869 5/20 0.38
PTGS2 P35354 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PLA2G2A P14555 1/20 0.34

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
SCHEMBL5554712 0.90 PPARG (0.38) HRH3PPARGPPARAPTGS2AKR1C3
SCHEMBL5559628 0.88 PPARG (0.38) HRH3PPARGPPARAPTGS2AKR1C3
SCHEMBL5559644 0.87 AKR1C3 (0.42) PPARGPTGS2AKR1C3AKR1C2
SCHEMBL5561035 0.84 AKR1C3 (0.34) PTGS2AKR1C3AKR1C2
SCHEMBL5553985 0.84 HRH3 (0.40) HRH3PPARGPPARAPTGS2AKR1C3
SCHEMBL5560504 0.83 PPARG (0.43) HRH3PPARGPPARAPTGS2AKR1C3
SCHEMBL6423911 0.83 PPARG (0.43) HRH3PPARGPPARAAKR1C3AKR1C2
SCHEMBL6425879 0.83 PPARG (0.43) HRH3PPARGPPARAAKR1C3AKR1C2
SCHEMBL6423534 0.83 PPARG (0.38) HRH3PPARGPPARAAKR1C3AKR1C2
SCHEMBL5800586 0.83 PPARG (0.38) HRH3PPARGPPARAAKR1C3AKR1C2

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 6 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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO 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
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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 (2 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 HRH3 660/4885PPARG 308/4885PPARA 715/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 HRH3 536/4885PPARG 1908/4885PPARA 2460/4885

“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.