SCHEMBL10115151

SCHEMBL10115151

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 5/20 0.51
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10115180 0.88 KMT2A (0.59) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL10115425 0.87 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL13565519 0.85 ALDH1A1 (0.47) KMT2AALDH1A1LMNACYP3A4GAA
SCHEMBL10115273 0.84 ANO1 (0.51) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL10115259 0.83 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNACA1
SCHEMBL10115271 0.82 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL10115183 0.81 LMNA (0.64) KMT2AALDH1A1LMNAGAAMAPT
SCHEMBL10115175 0.80 MEN1 (0.46) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL10115278 0.79 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL10113445 0.78 HDAC6 (0.61) KMT2AMEN1ALDH1A1LMNAPOLB

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 2912/4885MEN1 2876/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885ALDH1A1 4517/4885

“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.