SCHEMBL10114959

SCHEMBL10114959

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C3CCCCC3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ENPP3 O14638 4/20 0.47
ENPP1 P22413 4/20 0.47
PTPN1 P18031 1/20 0.47
LMNA P02545 2/20 0.46
ENPP2 Q13822 2/20 0.46
NAMPT P43490 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
STS P08842 1/20 0.44
RORC P51449 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL13204438 1.00 SMN1; SMN2 (0.49) SMN1; SMN2USP2ALOX15HSD17B10ENPP3
SCHEMBL10114938 0.92 PTPN1 (0.56) SMN1; SMN2ENPP3ENPP1PTPN1LMNA
SCHEMBL13204426 0.92 PTPN1 (0.56) SMN1; SMN2ENPP3ENPP1PTPN1LMNA
SCHEMBL10114976 0.87 NAMPT (0.44) ENPP3ENPP1LMNANAMPTNPSR1
SCHEMBL13204454 0.87 NAMPT (0.44) ENPP3ENPP1LMNANAMPTNPSR1
SCHEMBL10114911 0.85 KMT2A (0.58) SMN1; SMN2LMNAHTTHPGDMEN1
SCHEMBL14424378 0.85 KMT2A (0.58) SMN1; SMN2LMNAHTTHPGDMEN1
SCHEMBL10113958 0.84 NAMPT (0.66) SMN1; SMN2LMNANAMPTNPSR1HTT
SCHEMBL13204270 0.84 ALDH1A1 (0.55) ENPP3ENPP1LMNAENPP2NAMPT
SCHEMBL10114691 0.84 ALDH1A1 (0.55) ENPP3ENPP1LMNAENPP2NAMPT

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 SMN1; SMN2 2197/4885USP2 3680/4885ALOX15 851/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885USP2 3174/4885ALOX15 801/4885

“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.