SCHEMBL10114763

SCHEMBL10114763

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OC(C)(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 7/20 0.46
▸ ENPP1 P22413 7/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ ENPP2 Q13822 4/20 0.45
▸ ACACB O00763 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ STS P08842 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LIPE Q05469 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
SCHEMBL10114677 0.90 EPHX2 (0.55) KMT2AEPHX2LIPE
SCHEMBL13204285 0.90 EPHX2 (0.55) KMT2AEPHX2LIPE
SCHEMBL13204283 0.87 HTT (0.58) ENPP3ENPP1EPHX2HTT
SCHEMBL10114008 0.87 HTT (0.58) ENPP3ENPP1EPHX2HTT
SCHEMBL10114693 0.86 NPY5R (0.53) ENPP3ENPP1ABL1ENPP2KMT2A
SCHEMBL13204277 0.85 ENPP3 (0.53) ENPP3ENPP1ENPP2KMT2AEPHX2
SCHEMBL10114765 0.85 ENPP3 (0.53) ENPP3ENPP1ENPP2KMT2AEPHX2
SCHEMBL10113932 0.84 SMN1; SMN2 (0.60) ENPP3ENPP1ENPP2KMT2AEPHX2
SCHEMBL10294826 0.84 NAMPT (0.60) ENPP3ENPP1ABL1ENPP2KMT2A
SCHEMBL10114766 0.84 NAMPT (0.46) ENPP3ENPP1ENPP2KMT2AEPHX2

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 8 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-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

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 ENPP3 3334/4885ENPP1 3255/4885ABL1 1083/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3225/4885ENPP1 3059/4885ABL1 1150/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3416/4885ENPP1 3327/4885ABL1 1061/4885

“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.

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