Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114948

SCHEMBL10114948

SCHEMBL10114948

Cc1cc(-c2ccco2)ccc1NC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)C(C)C)C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ GRIA2 P42262 2/20 0.36
▸ GHSR Q92847 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ TRIM24 O15164 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL14424387 0.86 GSK3A (0.45) CDK2GSK3AGSK3BMAPK14HCRTR2
SCHEMBL10114934 0.86 GSK3A (0.45) CDK2GSK3AGSK3BMAPK14HCRTR2
SCHEMBL10115007 0.84 FAAH (0.37) GSK3BMAPK14GRIA2ALDH1A1RAB9A
SCHEMBL13565442 0.81 GHSR (0.35) HCRTR2GRIA2GHSRKCNH2BRD2
SCHEMBL10116159 0.81 HCRTR2 (0.38) GSK3BHCRTR2GRIA2GHSRALDH1A1
SCHEMBL10114572 0.71 TAAR1 (0.50) CDK2GSK3AGRIA2ALDH1A1NPC1
SCHEMBL14424620 0.71 TAAR1 (0.50) CDK2GSK3AGRIA2ALDH1A1NPC1
SCHEMBL13204298 0.71 TP53 (0.38) GSK3BKCNH2
SCHEMBL10114720 0.71 TP53 (0.38) GSK3BKCNH2
SCHEMBL14418495 0.71 TP53 (0.38) GSK3BKCNH2

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 8 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-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 CDK2 3535/4885GSK3A 2559/4885GSK3B 2267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CDK2 3901/4885GSK3A 2669/4885GSK3B 2333/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CDK2 3516/4885GSK3A 2567/4885GSK3B 2284/4885

“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.