SCHEMBL5554641

SCHEMBL5554641

Cc1c(C(C)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.44
PPARA Q07869 5/20 0.44
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL5554678 1.00 PPARG (0.44) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5554645 1.00 PPARG (0.44) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL6423351 0.91 PPARG (0.42) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5800943 0.91 PPARG (0.40) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5800940 0.91 PPARG (0.40) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL6424838 0.89 PPARG (0.41) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5560502 0.89 HRH3 (0.41) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5812156 0.89 PPARG (0.39) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5797948 0.89 PPARG (0.41) PPARGPPARAAKR1C3HRH3
SCHEMBL5560498 0.89 HRH3 (0.41) PPARGPPARAAKR1C3AKR1C2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
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
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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 PPARG 619/4885PPARA 1023/4885AKR1C3 1000/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PPARG 1908/4885PPARA 2460/4885AKR1C3 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.