SCHEMBL10116616

SCHEMBL10116616

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
POLB P06746 1/20 0.60
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 1/20 0.57
HDAC1 Q13547 5/20 0.52
HDAC3 O15379 5/20 0.52
NCOR2 Q9Y618 5/20 0.52
HDAC2 Q92769 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL10116470 0.85 GRIA2 (0.48) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL10116472 0.85 RAB9A (0.56) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL10116634 0.84 MEN1 (0.61) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL10116481 0.84 ALDH1A1 (0.51) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL10116341 0.82 NPC1 (0.57) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL10116617 0.82 GRIA2 (0.56) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10116477 0.81 NPC1 (0.59) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10116618 0.81 NPC1 (0.58) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30739586 0.79 HDAC1 (0.75) POLBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL10116655 0.79 NPC1 (0.51) LMNAPOLBNPC1RAB9ASMN1; 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 LMNA 1925/4885POLB 4727/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885POLB 4751/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885POLB 4721/4885NPC1 1462/4885

“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.