SCHEMBL1375423

SCHEMBL1375423

[CH2]N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.68
HSD11B1 P28845 11/20 0.63
GAA P10253 1/20 0.61
RBP4 P02753 1/20 0.59
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TRPV1 Q8NER1 3/20 0.56

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
SCHEMBL22668886 0.85 EPHX2 (0.73) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL1375425 0.84 EPHX2 (0.68) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL22669112 0.83 EPHX2 (0.71) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL1366662 0.82 EPHX2 (0.69) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL3095680 0.82 HSD11B1 (0.76) EPHX2HSD11B1GAARBP4TRPV1
SCHEMBL4841943 0.81 HSD11B1 (0.63) EPHX2HSD11B1GAARBP4TRPV1
SCHEMBL6988200 0.81 HSD11B1 (0.70) EPHX2HSD11B1GAARBP4HSD17B10
SCHEMBL233710 0.81 EPHX2 (1.00) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL30582915 0.81 EPHX2 (0.68) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL14507960 0.80 HRH3 (0.65) EPHX2HSD11B1GAARBP4MAPT

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
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 EPHX2 2047/4885HSD11B1 2706/4885GAA 4401/4885

“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.