Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114934

SCHEMBL10114934

SCHEMBL10114934

Cc1cc(-c2ccco2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ GRIA2 P42262 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ADORA3 P0DMS8 3/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA2B P29275 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CCR8 P51685 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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 1.00 GSK3A (0.45) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL10114948 0.86 CDK2 (0.40) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL14424620 0.85 TAAR1 (0.50) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL10114572 0.85 TAAR1 (0.50) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL13204447 0.84 GRIA2 (0.53) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL10115014 0.84 GRIA2 (0.53) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL13204429 0.83 ADORA2A (0.41) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL10114931 0.83 ADORA2A (0.41) GSK3ACDK2GRIA2ALDH1A1NPC1
SCHEMBL13204440 0.83 GRIA2 (0.42) GRIA2ALDH1A1NPC1RAB9AADORA2A
SCHEMBL10114994 0.83 GRIA2 (0.42) GRIA2ALDH1A1NPC1RAB9AADORA2A

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-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 (2 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 GSK3A 2559/4885CDK2 3535/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GSK3A 2669/4885CDK2 3901/4885GRIA2 334/4885

“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.