Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114013

SCHEMBL10114013

SCHEMBL10114013

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc3cc4ccccc4cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.45
▸ GRIA2 P42262 2/20 0.42
▸ CCR8 P51685 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL10113201 0.85 NPY5R (0.49) EPHX2CCR8PLAUALDH1A1GAA
SCHEMBL13203755 0.85 NPY5R (0.49) EPHX2CCR8PLAUALDH1A1GAA
SCHEMBL13204287 0.81 TSHR (0.58) EPHX2ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL10114769 0.81 TSHR (0.58) EPHX2ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13523286 0.79 METAP2 (0.45) EPHX2ALDH1A1GAAKDM4EKMT2A
SCHEMBL13564813 0.79 NSD2 (0.41) GRIA2HTR6
SCHEMBL10114056 0.79 MEN1 (0.50) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10114057 0.78 HTT (0.49) GRIA2ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10114716 0.78 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL10114697 0.78 MAPT (0.56) GRIA2ALDH1A1GAASMN1; SMN2KDM4E

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 EPHX2 2158/4885GRIA2 347/4885CCR8 429/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885GRIA2 334/4885CCR8 394/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885GRIA2 358/4885CCR8 484/4885

“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.