SCHEMBL5559772

SCHEMBL5559772

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.51
PTGS1 P23219 3/20 0.51
PPARG P37231 5/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 1/20 0.41
ABCB1 P08183 2/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
MT-CO2 P00403 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 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
SCHEMBL6423953 0.95 PTGS2 (0.49) PTGS2PTGS1PPARGMAPTRAB9A
SCHEMBL6424992 0.93 PTGS2 (0.52) PTGS2PTGS1PPARGMAPTRAB9A
SCHEMBL6423577 0.91 PTGS2 (0.49) PTGS2PTGS1PPARGMAPTRAB9A
SCHEMBL6426540 0.90 PPARG (0.42) PTGS2PTGS1PPARGPPARAABCB1
SCHEMBL6423806 0.90 PPARG (0.39) PTGS2PTGS1PPARGMAPTRAB9A
SCHEMBL6423169 0.89 PTGS2 (0.54) PTGS2PTGS1PPARGSMN1; SMN2ABCB1
SCHEMBL6423960 0.89 PTGS2 (0.63) PTGS2PTGS1PPARGMAPTRAB9A
SCHEMBL6423096 0.89 PTGS2 (0.56) PTGS2PTGS1PPARGMAPTRAB9A
SCHEMBL5560601 0.89 PTGS2 (0.52) PTGS2PTGS1PPARGMAPTRAB9A
SCHEMBL6424991 0.88 PTGS2 (0.54) PTGS2PTGS1PPARGMAPTRAB9A

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 7/4885PPARG 1908/4885

“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.