SCHEMBL10115387

SCHEMBL10115387

CC1COc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 11/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10115220 0.87 RAB9A (0.47) RAB9AHPGDTP53TSHRALDH1A1
SCHEMBL10113713 0.86 LMNA (0.58) RAB9AHPGDTP53TSHRALDH1A1
SCHEMBL10113891 0.86 RAB9A (0.63) RAB9AHPGDTP53TSHRALDH1A1
SCHEMBL13565793 0.85 GRIA1 (0.41) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL10115446 0.76 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL10116603 0.76 RAB9A (0.55) RAB9ATP53ALDH1A1LMNAMAPT
SCHEMBL13972724 0.75 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL10115370 0.75 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL10115477 0.74 HDAC6 (0.48) HPGDTSHRALDH1A1LMNAMAPT
SCHEMBL10115243 0.74 L3MBTL1 (0.56) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A

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 RAB9A 3699/4885HPGD 3487/4885TP53 4449/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885HPGD 3475/4885TP53 4417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885HPGD 3476/4885TP53 4486/4885

“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.