SCHEMBL10114971

SCHEMBL10114971

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
NPY5R Q15761 1/20 0.42
ENPP3 O14638 4/20 0.39
ENPP1 P22413 3/20 0.39
ENPP2 Q13822 3/20 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
SCHEMBL13204459 1.00 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10EPHX2
SCHEMBL10114807 0.90 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10EPHX2
SCHEMBL10114437 0.88 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL10134457 0.88 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL10116176 0.87 EPHX2 (0.44) ALDH1A1HPGDEPHX2POLBKMT2A
SCHEMBL10114783 0.87 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL10114143 0.84 NPY5R (0.53) ALDH1A1KDM4EEPHX2MAPTKMT2A
SCHEMBL12882810 0.84 NPY5R (0.53) ALDH1A1KDM4EEPHX2MAPTKMT2A
SCHEMBL17090431 0.83 CNR2 (0.41) ALDH1A1HPGDEPHX2POLBNPY5R
SCHEMBL13565859 0.83 CNR2 (0.41) ALDH1A1HPGDEPHX2POLBNPY5R

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 4 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HPGD 3475/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HPGD 3476/4885KDM4E 1653/4885

“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.