SCHEMBL5539199

SCHEMBL5539199

O=C(O)C(F)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.61
PPARA Q07869 1/20 0.61
MRGPRX4 Q96LA9 1/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CES2 O00748 1/20 0.47
NR4A2 P43354 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
SLC6A9 P48067 1/20 0.44
SRD5A2 P31213 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6550208 0.82 PPARG (0.59) PPARGPPARAMRGPRX4KDM4ENPSR1
SCHEMBL30605888 0.80 NPSR1 (0.57) PPARGPPARAMRGPRX4KDM4ENPSR1
SCHEMBL5620986 0.80 PPARG (0.51) PPARGPPARAMRGPRX4KDM4ENPSR1
SCHEMBL31053289 0.80 PPARG (0.80) PPARGPPARAMRGPRX4KDM4EMAPT
SCHEMBL5083539 0.80 PPARG (0.80) PPARGPPARAMRGPRX4KDM4EMAPT
SCHEMBL4576498 0.78 PPARG (0.82) PPARGPPARAMRGPRX4KDM4ECES2
SCHEMBL8935975 0.78 PPARG (0.71) PPARGPPARAMRGPRX4KDM4ENPSR1
SCHEMBL8935982 0.78 PPARG (0.71) PPARGPPARAMRGPRX4KDM4ENPSR1
SCHEMBL3559428 0.78 CYP1A2 (0.46) PPARGPPARAMEN1MAPTKMT2A
SCHEMBL11848431 0.77 PPARG (0.54) PPARGPPARAMRGPRX4KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39707-E1 Camptothecin derivatives CATHOLIC HEALTHCARE WEST (US) 2007-06-26 US disclosed
EP-1353673-B1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2007-04-18 EP disclosed
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 CN disclosed
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 US disclosed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 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-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 PPARG 1875/4885PPARA 1666/4885MRGPRX4 4577/4885

“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.