SCHEMBL10115488

SCHEMBL10115488

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.50
ALDH1A1 P00352 8/20 0.49
MITF O75030 1/20 0.47
KLF5 Q13887 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
DEGS1 O15121 1/20 0.42
ENPP2 Q13822 2/20 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
SCHEMBL10115554 0.87 ENPP3 (0.49) ALDH1A1HPGDLMNAUSP2MEN1
SCHEMBL10115519 0.86 ALDH1A1 (0.46) ALDH1A1LMNAUSP2MEN1KMT2A
SCHEMBL10115164 0.84 RORC (0.50) RORCALDH1A1MITFKLF5HPGD
SCHEMBL10115421 0.84 HDAC3 (0.53) ALDH1A1HPGDLMNAKMT2ANPC1
SCHEMBL10115453 0.84 ALDH1A1 (0.49) RORCALDH1A1LMNAUSP2MEN1
SCHEMBL10115426 0.83 KMT2A (0.59) ALDH1A1HPGDLMNAUSP2MEN1
SCHEMBL517540 0.83 MITF (0.63) RORCALDH1A1MITFKLF5HPGD
SCHEMBL10115491 0.83 ALDH1A1 (0.47) RORCALDH1A1LMNAUSP2MEN1
SCHEMBL13564982 0.82 GRIA1 (0.47) RORCALDH1A1LMNAHTT
SCHEMBL10115517 0.82 ALDH1A1 (0.43) ALDH1A1LMNAUSP2MEN1KMT2A

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 RORC 304/4885ALDH1A1 4558/4885MITF 1541/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RORC 396/4885ALDH1A1 4599/4885MITF 1693/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RORC 313/4885ALDH1A1 4517/4885MITF 1566/4885

“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.