SCHEMBL10116617

SCHEMBL10116617

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.56
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CXCR2 P25025 1/20 0.46
PTPN1 P18031 1/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ATM Q13315 1/20 0.44
GRIA4 P48058 1/20 0.44
MITF O75030 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SNCA P37840 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL10116634 0.89 MEN1 (0.61) GRIA2LMNAKDM4EMEN1KMT2A
SCHEMBL10116477 0.88 NPC1 (0.59) LMNAKDM4EMEN1KMT2AHPGD
SCHEMBL10116470 0.86 GRIA2 (0.48) GRIA2LMNAKDM4EMEN1KMT2A
SCHEMBL10116618 0.85 NPC1 (0.58) GRIA2LMNAKDM4EMEN1KMT2A
SCHEMBL10116646 0.83 KDM4E (0.45) GRIA2LMNAKDM4EMEN1KMT2A
SCHEMBL10116655 0.83 NPC1 (0.51) LMNAKDM4EMEN1KMT2AHPGD
SCHEMBL10116616 0.82 LMNA (0.60) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10116458 0.81 GRIA4 (0.60) GRIA2LMNAKDM4EMEN1KMT2A
SCHEMBL10116460 0.81 NPC1 (0.67) GRIA2LMNAKDM4EMEN1KMT2A
SCHEMBL10116526 0.81 KDM4E (0.74) GRIA2LMNAKDM4EMEN1KMT2A

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 10 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-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 GRIA2 347/4885LMNA 1925/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 334/4885LMNA 2068/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 358/4885LMNA 1857/4885KDM4E 1653/4885

“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.