SCHEMBL10116341

SCHEMBL10116341

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 2/20 0.57
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
HDAC2 Q92769 1/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.49
IDH1 O75874 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL10116355 0.89 ALDH1A1 (0.69) NPC1RAB9ASMN1; SMN2GAALMNA
SCHEMBL10116197 0.85 RAB9A (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10116195 0.85 MEN1 (0.44) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10114513 0.84 MEN1 (0.61) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10116203 0.84 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10116616 0.82 LMNA (0.60) NPC1RAB9ASMN1; SMN2GAALMNA
SCHEMBL10116349 0.82 MEN1 (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10116200 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10116345 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL9695908 0.80 GAA (0.74) NPC1RAB9ASMN1; SMN2GAALMNA

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 NPC1 1435/4885RAB9A 3699/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885SMN1; SMN2 2251/4885

“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.