SCHEMBL10116646

SCHEMBL10116646

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GRIA2 P42262 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
TRPV4 Q9HBA0 2/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GRIA4 P48058 1/20 0.40
TRPA1 O75762 1/20 0.40
PTGS1 P23219 1/20 0.40
P2RX1 P51575 1/20 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
SCHEMBL10116618 0.85 NPC1 (0.58) KDM4ELMNAGRIA2MEN1KMT2A
SCHEMBL10116659 0.84 MAPT (0.50) KDM4ELMNAGRIA2MEN1KMT2A
SCHEMBL10116360 0.84 TRPV1 (0.47) KDM4ELMNATRPV1TRPV4EPHX2
SCHEMBL10116617 0.83 GRIA2 (0.56) KDM4ELMNAGRIA2EPHX2NR1H4
SCHEMBL10116572 0.83 TRPV1 (0.62) KDM4ELMNATRPV1TRPV4NPC1
SCHEMBL10116655 0.82 NPC1 (0.51) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL10116634 0.80 MEN1 (0.61) KDM4ELMNAGRIA2MEN1KMT2A
SCHEMBL10116496 0.80 SMN1; SMN2 (0.55) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL10116628 0.80 KMT2A (0.50) KDM4ELMNATRPV1TRPV4EPHX2
SCHEMBL10116605 0.80 MAPT (0.60) LMNAMEN1KMT2ANPC1RAB9A

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

“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.