SCHEMBL10113129

SCHEMBL10113129

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(CCCC(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.48
POLB P06746 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 2/20 0.46
EPHX2 P34913 1/20 0.43
GLA P06280 2/20 0.42
GAA P10253 3/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAMPT P43490 1/20 0.41
SYK P43405 2/20 0.40
S1PR1 P21453 1/20 0.40
CCR5 P51681 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL13203742 1.00 NPY5R (0.48) NPY5RPOLBNR1H4KMT2AMEN1
SCHEMBL13203739 0.90 NPY5R (0.47) NPY5RPOLBKMT2AMEN1LMNA
SCHEMBL10113128 0.90 NPY5R (0.47) NPY5RPOLBKMT2AMEN1LMNA
SCHEMBL12864650 0.89 POLB (0.61) NPY5RPOLBKMT2AMEN1LMNA
SCHEMBL10113036 0.89 POLB (0.61) NPY5RPOLBKMT2AMEN1LMNA
SCHEMBL10113010 0.89 POLB (0.61) NPY5RPOLBKMT2AMEN1LMNA
SCHEMBL10133382 0.87 POLB (0.52) NPY5RPOLBKMT2AMEN1LMNA
SCHEMBL10114297 0.87 POLB (0.52) NPY5RPOLBKMT2AMEN1LMNA
SCHEMBL10113985 0.85 POLB (0.48) POLBNR1H4KMT2AMEN1LMNA
SCHEMBL10133413 0.84 KMT2A (0.58) NPY5RPOLBKMT2AMEN1LMNA

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-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-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 NPY5R 1/4885POLB 4751/4885NR1H4 311/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885POLB 4721/4885NR1H4 278/4885

“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.