Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114437

SCHEMBL10114437

SCHEMBL10114437

CC(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SCN2A Q99250 1/20 0.39

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
SCHEMBL10114807 0.92 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10114783 0.89 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL13204459 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10134457 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10114971 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL14627682 0.87 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10114454 0.87 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10114434 0.86 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL13204345 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10114839 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTNPC1

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 ALDH1A1 4558/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KMT2A 2953/4885MEN1 2926/4885

“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.