SCHEMBL10113611

SCHEMBL10113611

CCCCOc1ccc(NNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
MMP1 P03956 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL10113497 0.89 L3MBTL1 (0.58) GAAL3MBTL1ALDH1A1CNR1CNR2
SCHEMBL10113604 0.87 L3MBTL1 (0.50) L3MBTL1ALDH1A1CNR1MEN1KMT2A
SCHEMBL10113876 0.84 GAA (0.45) GAAL3MBTL1ALDH1A1CNR1CNR2
SCHEMBL13564783 0.82 NPC1 (0.46) ALDH1A1MMP1ADAMTS4MMP2MMP13
SCHEMBL11934985 0.80 NPC1 (0.48) ALDH1A1CNR2MMP1ADAMTS4MMP2
SCHEMBL10113560 0.80 THRB (0.53) GAAALDH1A1CNR1CNR2MEN1
SCHEMBL10113565 0.80 CNR2 (0.45) ALDH1A1CNR1CNR2
SCHEMBL10113564 0.78 SMN1; SMN2 (0.48) GAAL3MBTL1ALDH1A1CA12CA1
SCHEMBL10113573 0.77 HDAC3 (0.48) ALDH1A1CNR1CNR2
SCHEMBL10113563 0.77 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1CNR1CNR2

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 7 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-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-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 (2 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 GAA 3448/4885L3MBTL1 3267/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885L3MBTL1 2541/4885ALDH1A1 4599/4885

“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.