Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114834

SCHEMBL10114834

SCHEMBL10114834

CCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ RPS6KA5 O75582 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ PKN2 Q16513 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ CHUK O15111 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ LTK P29376 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
SCHEMBL10114225 1.00 MAPT (0.46) MAPTNPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14424268 1.00 MAPT (0.46) MAPTNPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10114884 0.93 MAPT (0.45) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10134476 0.93 MAPT (0.45) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL14424372 0.93 MAPT (0.45) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13204368 0.93 MAPT (0.45) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13204369 0.92 MAPT (0.43) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL14424361 0.92 MAPT (0.43) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10114856 0.92 MAPT (0.43) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10134104 0.92 MAPT (0.43) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1

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 9 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-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 MAPT 3602/4885NPSR1 7/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885NPSR1 8/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885NPSR1 7/4885ALDH1A1 4517/4885

“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.