SCHEMBL5269901

SCHEMBL5269901

CCCCCCCCCCCCCCCCC[C@@H](COC(=O)C(F)(F)F)NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
PLA2G2C Q5R387 4/20 0.43
PLA2G2A P14555 4/20 0.42
ZDHHC7 Q9NXF8 1/20 0.40
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 7/20 0.37
CES1 P23141 5/20 0.37
CES2 O00748 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5267236 1.00 EPHX1 (0.44) EPHX1PLA2G2CPLA2G2AZDHHC7USP2
SCHEMBL16575957 0.84 EPHX1 (0.45) EPHX1PLA2G2CPLA2G2AFAAHCES1
SCHEMBL17972439 0.82 EPHX1 (0.51) EPHX1PLA2G2CFAAHCES1CES2
SCHEMBL18349797 0.81 PLA2G2A (0.42) EPHX1PLA2G2CPLA2G2ALMNAMEN1
SCHEMBL18349791 0.81 PLA2G2C (0.42) EPHX1PLA2G2CPLA2G2ALMNAMEN1
SCHEMBL16574363 0.81 PLA2G2A (0.55) PLA2G2A
SCHEMBL15942203 0.80 EPHX1 (0.50) EPHX1PLA2G2CLMNAFAAHCES1
SCHEMBL15948722 0.80 EPHX1 (0.50) EPHX1PLA2G2CLMNAFAAHCES1
SCHEMBL18349792 0.79 EPHX1 (0.47) EPHX1PLA2G2CLMNAFAAHCES1
SCHEMBL16575605 0.78 PLA2G2A (0.73) EPHX1PLA2G2CPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287006-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2007-10-24 EP disclosed
US-7138547-B2 Antitumoral compounds PHARMA MAR, S.A. 2006-11-21 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 EPHX1 3121/4885PLA2G2C 3712/4885PLA2G2A 3524/4885

“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.