SCHEMBL10114908

SCHEMBL10114908

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.49
KMT2A Q03164 1/20 0.46
NPY5R Q15761 1/20 0.41
GRIA2 P42262 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ULK1 O75385 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDR P35968 2/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL14424123 0.92 KMT2A (0.48) EPHX2KMT2ANPY5RKDR
SCHEMBL10114896 0.92 KMT2A (0.48) EPHX2KMT2ANPY5RKDR
SCHEMBL10114890 0.89 KMT2A (0.46) EPHX2KMT2ANPY5RGRIA2NPC1
SCHEMBL14424635 0.89 KMT2A (0.46) EPHX2KMT2ANPY5RGRIA2NPC1
SCHEMBL14424189 0.88 MAPT (0.46) KMT2AGRIA2NPC1ALDH1A1MAPT
SCHEMBL10114886 0.88 MAPT (0.46) KMT2AGRIA2NPC1ALDH1A1MAPT
SCHEMBL10114973 0.88 KMT2A (0.45) EPHX2KMT2ANPY5RGRIA2NPC1
SCHEMBL13204449 0.87 POLB (0.47) EPHX2KMT2ANPY5RGRIA2ALDH1A1
SCHEMBL10114978 0.87 POLB (0.47) EPHX2KMT2ANPY5RGRIA2ALDH1A1
SCHEMBL14418519 0.86 KMT2A (0.43) EPHX2KMT2ANPY5RGRIA2NPC1

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885KMT2A 2768/4885NPY5R 1/4885

“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.