SCHEMBL10115167

SCHEMBL10115167

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
F10 P00742 3/20 0.41
KDM4E B2RXH2 2/20 0.41
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CYP2D6 P10635 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
SCHEMBL10115153 0.97 SMN1; SMN2 (0.44) ALDH1A1LMNAGAANPSR1HSD17B10
SCHEMBL10115492 0.86 ALDH1A1 (0.43) ALDH1A1LMNAGAANPSR1HSD17B10
SCHEMBL10113400 0.85 GAA (0.59) ALDH1A1LMNAGAANPSR1HSD17B10
SCHEMBL10113386 0.84 SMN1; SMN2 (0.59) ALDH1A1LMNAGAANPSR1HSD17B10
SCHEMBL13565670 0.84 USP2 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2F10
SCHEMBL10115443 0.83 SMN1; SMN2 (0.44) ALDH1A1LMNAGAANPSR1HSD17B10
SCHEMBL10115101 0.82 KDM4E (0.50) ALDH1A1LMNAGAANPSR1HSD17B10
SCHEMBL10113439 0.82 SMN1; SMN2 (0.56) ALDH1A1LMNAGAANPSR1HSD17B10
SCHEMBL13565847 0.81 PKM (0.44) ALDH1A1LMNANPSR1SMN1; SMN2MEN1
SCHEMBL17507085 0.81 SMN1; SMN2 (0.55) ALDH1A1GAANPSR1HSD17B10L3MBTL1

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 ALDH1A1 4558/4885LMNA 1925/4885GAA 3448/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885GAA 3316/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885GAA 3472/4885

“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.