SCHEMBL10116435

SCHEMBL10116435

CCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.47
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
RORC P51449 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
P2RX4 Q99571 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MCHR1 Q99705 2/20 0.42
MAPT P10636 2/20 0.40

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
SCHEMBL10116752 0.86 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL10114615 0.82 LMNA (0.53) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL13566088 0.82 NPY1R (0.41) PDE4DPDE4APDE4BPDE4CRORC
SCHEMBL10116415 0.82 F2 (0.58) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL10116381 0.81 MAPT (0.52) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL10116384 0.81 F2 (0.57) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL10115258 0.78 ALDH1A1 (0.46) PDE4ARORCLMNASMN1; SMN2HDAC1
SCHEMBL10115829 0.77 PDE4B (0.42) PDE4APDE4BRORCLMNAALDH1A1
SCHEMBL10133610 0.76 NPC1 (0.44) LMNASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL10116412 0.76 MAPT (0.47) LMNASMN1; SMN2ALDH1A1MAPK1MAPT

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 PDE4D 2452/4885PDE4A 2689/4885PDE4B 2328/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PDE4D 2071/4885PDE4A 2415/4885PDE4B 2069/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PDE4D 2486/4885PDE4A 2664/4885PDE4B 2309/4885

“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.