SCHEMBL10114896

SCHEMBL10114896

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
KDR P35968 15/20 0.48
BRAF P15056 6/20 0.48
EPHX2 P34913 1/20 0.43
AR P10275 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
NPY5R Q15761 1/20 0.42

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 1.00 KMT2A (0.48) KMT2AKDRBRAFEPHX2AR
SCHEMBL10114908 0.92 EPHX2 (0.49) KMT2AKDREPHX2NPY5R
SCHEMBL10114886 0.88 MAPT (0.46) KMT2A
SCHEMBL14424189 0.88 MAPT (0.46) KMT2A
SCHEMBL14424635 0.87 KMT2A (0.46) KMT2AKDRBRAFEPHX2NPY5R
SCHEMBL10114890 0.87 KMT2A (0.46) KMT2AKDRBRAFEPHX2NPY5R
SCHEMBL14424174 0.86 NPY5R (0.57) KMT2AKDRBRAFEPHX2AR
SCHEMBL10114534 0.86 NPY5R (0.57) KMT2AKDRBRAFEPHX2AR
SCHEMBL10134448 0.86 GRIA2 (0.43) KMT2A
SCHEMBL10114973 0.85 KMT2A (0.45) KMT2AEPHX2NPY5R

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 9 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-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
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R KMT2A 2912/4885KDR 1480/4885BRAF 4445/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885KDR 1712/4885BRAF 4341/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885KDR 1455/4885BRAF 4418/4885

“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.