Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116488

SCHEMBL10116488

SCHEMBL10116488

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ THRB P10828 1/20 0.39
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL10134520 0.93 KMT2A (0.41) KMT2AKDM4ELMNATHRBCRHBP
SCHEMBL10116550 0.93 KMT2A (0.41) KMT2AKDM4ELMNATHRBCRHBP
SCHEMBL13204919 0.93 KMT2A (0.41) KMT2AKDM4ELMNATHRBCRHBP
SCHEMBL10116548 0.90 KMT2A (0.39) KMT2AKDM4ELMNATHRBCRHBP
SCHEMBL13204920 0.90 KMT2A (0.39) KMT2AKDM4ELMNATHRBCRHBP
SCHEMBL10134522 0.90 KMT2A (0.39) KMT2AKDM4ELMNATHRBCRHBP
SCHEMBL10116487 0.88 KMT2A (0.46) KMT2AKDM4ELMNATHRBRXFP1
SCHEMBL10133635 0.88 KMT2A (0.46) KMT2AKDM4ELMNATHRBRXFP1
SCHEMBL13204900 0.88 KMT2A (0.46) KMT2AKDM4ELMNATHRBRXFP1
SCHEMBL10133268 0.87 KDM4E (0.43) KMT2AKDM4ELMNATHRBCRHBP

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 2912/4885KDM4E 1668/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885KDM4E 1627/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885KDM4E 1653/4885LMNA 1857/4885

“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.