SCHEMBL4779923

SCHEMBL4779923

CC(=O)C(Cc1ccc(F)c(C(F)(F)F)c1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.44
EPHX1 P07099 1/20 0.44
NR3C2 P08235 1/20 0.43
AR P10275 2/20 0.43
PTPN7 P35236 3/20 0.41
DUSP3 P51452 3/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
VNN1 O95497 2/20 0.39
MDM2 Q00987 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 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
SCHEMBL4436198 0.87 EPHX1 (0.46) P2RX7EPHX1NR3C2ARPTPN7
SCHEMBL5121133 0.84 PPARD (0.45) P2RX7EPHX1NR3C2ARPTPN7
SCHEMBL15881697 0.79 EPHX1 (0.54) P2RX7EPHX1NR3C2ARPTPN7
SCHEMBL4778248 0.79 PIK3CA (0.47) MDM2
SCHEMBL6213644 0.79 P2RX7 (0.47) P2RX7EPHX1NR3C2ARPTPN7
SCHEMBL5018902 0.78 AR (0.44) P2RX7EPHX1NR3C2ARPTPN7
SCHEMBL4725139 0.78 CYP4F2 (0.46)
SCHEMBL15262395 0.77 EPHX2 (0.42) P2RX7EPHX1NR3C2ARPTPN7
SCHEMBL1552615 0.76 PTPN7 (0.42) P2RX7EPHX1NR3C2ARPTPN7
SCHEMBL1552613 0.76 PTPN7 (0.42) P2RX7EPHX1NR3C2ARPTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080221129-A1 New compounds SCD, SCD5, FASN P2RX7 4875/4885EPHX1 1133/4885NR3C2 1246/4885

“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.