SCHEMBL10114601

SCHEMBL10114601

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
PANK3 Q9H999 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
EPHX2 P34913 1/20 0.48

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
SCHEMBL13222448 0.89 GAA (0.50) KMT2ANPC1RAB9ATSHRGAA
SCHEMBL12882838 0.89 TSHR (0.48) KMT2ANPC1RAB9ATSHREPHX2
SCHEMBL10115847 0.89 LMNA (0.59) KMT2ANPC1SMN1; SMN2MAPTRAB9A
SCHEMBL10115852 0.88 NPC1 (0.57) KMT2ANPC1SMN1; SMN2PANK3MAPT
SCHEMBL10115865 0.88 ALOX5 (0.56) KMT2ANPC1SMN1; SMN2MAPTRAB9A
SCHEMBL10116050 0.88 CACNA1H (0.48) KMT2ANPC1USP2TSHR
SCHEMBL10115849 0.88 ALDH1A1 (0.55) KMT2ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL10114622 0.87 EPHX2 (0.57) MAPTEPHX2
SCHEMBL10116051 0.87 CACNA1H (0.50) KMT2ANPC1SMN1; SMN2MAPTRAB9A
SCHEMBL10115945 0.87 LMNA (0.46) KMT2ANPC1MAPTRAB9ATSHR

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 KMT2A 2912/4885NPC1 1435/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885NPC1 1353/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885NPC1 1462/4885SMN1; 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.