SCHEMBL10114979

SCHEMBL10114979

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.50
▸ BRAF P15056 4/20 0.48
▸ EPHX2 P34913 10/20 0.43
▸ MALT1 Q9UDY8 1/20 0.40
▸ GRIA2 P42262 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
SCHEMBL13204451 1.00 KDR (0.50) KDRBRAFEPHX2MALT1GRIA2
SCHEMBL14424200 0.89 KMT2A (0.43) KDRBRAFEPHX2MALT1GRIA2
SCHEMBL14418519 0.89 KMT2A (0.43) KDRBRAFEPHX2MALT1GRIA2
SCHEMBL10114886 0.85 MAPT (0.46) GRIA2
SCHEMBL14424189 0.85 MAPT (0.46) GRIA2
SCHEMBL10114896 0.85 KMT2A (0.48) KDRBRAFEPHX2
SCHEMBL14424123 0.85 KMT2A (0.48) KDRBRAFEPHX2
SCHEMBL10116172 0.84 EPHX2 (0.52) EPHX2
SCHEMBL13204285 0.84 EPHX2 (0.55) EPHX2
SCHEMBL10114677 0.84 EPHX2 (0.55) EPHX2

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
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — 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 (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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDR 1712/4885BRAF 4341/4885EPHX2 2527/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDR 1455/4885BRAF 4418/4885EPHX2 2306/4885

“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.

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