SCHEMBL10114769

SCHEMBL10114769

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 2/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDH2 P48735 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.43
TP53 P04637 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
SCHEMBL13204287 1.00 TSHR (0.58) TSHRSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL10114863 0.86 ALDH1A1 (0.48) TSHRSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL14424186 0.86 ALDH1A1 (0.48) TSHRSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL14424187 0.86 TP53 (0.60) TSHRSMN1; SMN2KMT2ANPC1LMNA
SCHEMBL10114875 0.86 TP53 (0.60) TSHRSMN1; SMN2KMT2ANPC1LMNA
SCHEMBL10114716 0.85 MAPT (0.55) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10114715 0.84 KMT2A (0.46) TSHRSMN1; SMN2KMT2ANPC1EPHX2
SCHEMBL13204296 0.84 KMT2A (0.46) TSHRSMN1; SMN2KMT2ANPC1EPHX2
SCHEMBL10114312 0.83 TSHR (0.58) TSHRSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL10133211 0.83 TSHR (0.58) TSHRSMN1; SMN2KMT2AMEN1NPC1

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 TSHR 189/4885SMN1; SMN2 2197/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TSHR 173/4885SMN1; SMN2 2251/4885KMT2A 2953/4885

“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.