SCHEMBL10114715

SCHEMBL10114715

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
EPHX2 P34913 5/20 0.45
NPC1 O15118 1/20 0.42
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
NPY5R Q15761 2/20 0.39
GRIA2 P42262 3/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL13204296 1.00 KMT2A (0.46) KMT2AEPHX2NPC1TP53TSHR
SCHEMBL14424187 0.85 TP53 (0.60) KMT2ANPC1TP53TSHRSMN1; SMN2
SCHEMBL10114875 0.85 TP53 (0.60) KMT2ANPC1TP53TSHRSMN1; SMN2
SCHEMBL13204287 0.84 TSHR (0.58) KMT2AEPHX2NPC1TP53TSHR
SCHEMBL10114769 0.84 TSHR (0.58) KMT2AEPHX2NPC1TP53TSHR
SCHEMBL10133393 0.83 NPY5R (0.55) KMT2AEPHX2TP53TSHRSMN1; SMN2
SCHEMBL10114328 0.83 NPY5R (0.55) KMT2AEPHX2TP53TSHRSMN1; SMN2
SCHEMBL10115880 0.81 TAS1R3 (0.48) KMT2AEPHX2NPC1LMNANPY5R
SCHEMBL10114886 0.81 MAPT (0.46) KMT2ANPC1SMN1; SMN2LMNAGRIA2
SCHEMBL14424189 0.81 MAPT (0.46) KMT2ANPC1SMN1; SMN2LMNAGRIA2

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 7 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 KMT2A 2768/4885EPHX2 2527/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885EPHX2 2306/4885NPC1 1462/4885

“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.