Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114973

SCHEMBL10114973

SCHEMBL10114973

CCc1cc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GRIA2 P42262 3/20 0.42
▸ EPHX2 P34913 4/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ULK1 O75385 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 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
SCHEMBL14424635 0.88 KMT2A (0.46) KMT2AGRIA2EPHX2NPY5RSMN1; SMN2
SCHEMBL10114908 0.88 EPHX2 (0.49) KMT2AGRIA2EPHX2NPY5RSMN1; SMN2
SCHEMBL10114890 0.88 KMT2A (0.46) KMT2AGRIA2EPHX2NPY5RSMN1; SMN2
SCHEMBL10114896 0.85 KMT2A (0.48) KMT2AEPHX2NPY5R
SCHEMBL14424123 0.85 KMT2A (0.48) KMT2AEPHX2NPY5R
SCHEMBL10114978 0.85 POLB (0.47) KMT2ANPSR1GRIA2EPHX2NPY5R
SCHEMBL13204449 0.85 POLB (0.47) KMT2ANPSR1GRIA2EPHX2NPY5R
SCHEMBL14418519 0.84 KMT2A (0.43) KMT2AGRIA2EPHX2NPY5RSMN1; SMN2
SCHEMBL10116166 0.84 EPHX2 (0.48) GRIA2EPHX2MAPT
SCHEMBL14424200 0.84 KMT2A (0.43) KMT2AGRIA2EPHX2NPY5RSMN1; SMN2

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 KMT2A 2912/4885NPSR1 7/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885NPSR1 8/4885GRIA2 334/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885NPSR1 7/4885GRIA2 358/4885

“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.