SCHEMBL10116347

SCHEMBL10116347

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
ALDH1A1 P00352 2/20 0.47
PDE4D Q08499 2/20 0.46
HPGD P15428 1/20 0.44
PLA2G7 Q13093 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 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
SCHEMBL10116195 0.88 MEN1 (0.44) HDAC1ALDH1A1HPGDCA1CA2
SCHEMBL10116197 0.85 RAB9A (0.56) HDAC1ALDH1A1HPGDCA1CA2
SCHEMBL10116240 0.82 MEN1 (0.55) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL10114513 0.82 MEN1 (0.61) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10116200 0.82 NPC1 (0.59) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10116345 0.81 NPC1 (0.58) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10116623 0.81 HDAC1 (0.53) HDAC1ALDH1A1PDE4DHPGDPLA2G7
SCHEMBL10116182 0.80 KMT2A (0.57) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10116349 0.80 MEN1 (0.49) ALDH1A1HPGDCA1CA2MEN1
SCHEMBL10116364 0.79 MAPT (0.53) ALDH1A1MEN1KMT2AHTTSMN1; 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 HDAC1 1995/4885ALDH1A1 4558/4885PDE4D 2452/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885ALDH1A1 4599/4885PDE4D 2071/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 2021/4885ALDH1A1 4517/4885PDE4D 2486/4885

“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.