SCHEMBL10116704

SCHEMBL10116704

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.65
KCNK9 Q9NPC2 1/20 0.65
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.51
F2R P25116 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.47
ACKR3 P25106 1/20 0.46

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
SCHEMBL10116705 0.92 PTPN1 (0.52) KCNK3KCNK9LMNANPSR1SMN1; SMN2
SCHEMBL10116405 0.85 KCNK3 (0.65) KCNK3KCNK9ALDH1A1LMNANPSR1
SCHEMBL13565358 0.84 LMNA (0.52) KCNK3KCNK9ALDH1A1LMNANPSR1
SCHEMBL10116670 0.83 HTR2B (0.56) ALDH1A1LMNARXFP1SMN1; SMN2HPGD
SCHEMBL10116689 0.82 F2 (0.57) KCNK3KCNK9ALDH1A1LMNASMN1; SMN2
SCHEMBL10116673 0.81 LMNA (0.56) ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL10116718 0.81 F2 (0.58) ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL13204425 0.80 LMNA (0.59) KCNK3KCNK9ALDH1A1LMNANPSR1
SCHEMBL10114988 0.80 LMNA (0.59) KCNK3KCNK9ALDH1A1LMNANPSR1
SCHEMBL10116668 0.78 NPC1 (0.56) ALDH1A1LMNANPSR1RXFP1SMN1; SMN2

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 11 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-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
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 KCNK3 1649/4885KCNK9 1442/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KCNK3 1645/4885KCNK9 1479/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KCNK3 1521/4885KCNK9 1375/4885ALDH1A1 4517/4885

“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.