SCHEMBL4172800

SCHEMBL4172800

CCCCC(O)NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CTSK P43235 1/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
FAAH O00519 8/20 0.39
CES1 P23141 5/20 0.38
CES2 O00748 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MLYCD O95822 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL712857 0.94 EPHX1 (0.50) EPHX1FAAHCES1CES2MEN1
SCHEMBL28224073 0.93 EPHX1 (0.53) EPHX1FAAHCES1CES2MEN1
SCHEMBL28253440 0.88 EPHX1 (0.41) EPHX1CTSKCA2FAAHCES1
SCHEMBL24371436 0.78 EPHX1 (0.44) EPHX1CTSKCA1CA2FAAH
SCHEMBL8178933 0.78 NOD1 (0.49) EPHX1CTSKCA1CA2
SCHEMBL1236443 0.78 NOD1 (0.49) EPHX1CTSKCA1CA2
SCHEMBL1504690 0.78 CA2 (0.37) EPHX1CA2MEN1KMT2AALDH1A1
SCHEMBL3080842 0.77 EPHX1 (0.43) EPHX1CTSKCA1CA2FAAH
SCHEMBL564162 0.77 EPHX1 (0.43) EPHX1CTSKCA1CA2FAAH
SCHEMBL7045874 0.76 MLYCD (0.57) EPHX1CA1FAAHCES1CES2

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-20090269734-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN SHIZUOKA PREFECTURAL UNIVERSITIES CORPORATION, NATIONAL UNIVERSITY CORPORATION SHIZUOKA 2009-10-29 US disclosed
US-20090181362-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2009-07-16 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 (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-20090181362-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN SIGLEC7, SIGLEC9, NEU4 EPHX1 3950/4885CTSK 3054/4885CA1 1187/4885
US-20090269734-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN SIGLEC7, SIGLEC9, NEU4 EPHX1 3910/4885CTSK 2986/4885CA1 1122/4885

“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.