Sugi Predict

Sugi Predict / Compounds / SCHEMBL10115703

SCHEMBL10115703

SCHEMBL10115703

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)NC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ NPSR1 Q6W5P4 4/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10116046 0.84 TSHR (0.57) TSHRNPSR1KMT2AMAPTLMNA
SCHEMBL14627683 0.81 NPY5R (0.48) TSHRNPSR1KMT2AMAPTLMNA
SCHEMBL10114498 0.81 NPY5R (0.48) TSHRNPSR1KMT2AMAPTLMNA
SCHEMBL10115727 0.78 LMNA (0.47) NPSR1LMNAMAPK1GAA
SCHEMBL10115579 0.78 ALDH1A1 (0.55) TSHRNPSR1LMNACCR8SMN1; SMN2
SCHEMBL10115725 0.75 LMNA (0.57) TSHRMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL10115548 0.74 KMT2A (0.54) TSHRKMT2AMEN1CCR8SMN1; SMN2
SCHEMBL10115657 0.74 LMNA (0.50) NPSR1KMT2ALMNACCR8GAA
SCHEMBL10115556 0.74 MEN1 (0.60) KMT2AMAPTLMNAMEN1MAPK1
SCHEMBL10115666 0.73 NPC1 (0.50) KMT2AMAPTMEN1CCR8MAPK1

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 TSHR 163/4885NPSR1 7/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TSHR 189/4885NPSR1 8/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TSHR 173/4885NPSR1 7/4885KMT2A 2953/4885

“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.