Sugi Predict

Sugi Predict / Compounds / SCHEMBL4548442

SCHEMBL4548442

SCHEMBL4548442

COC(=O)c1cnc(-n2cc(O)cn2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.42
▸ CRBN Q96SW2 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ GAA P10253 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ FFAR2 O15552 1/20 0.34
▸ TMPRSS15 P98073 4/20 0.34
▸ PPARG P37231 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 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
SCHEMBL10312552 0.86 CRBN (0.41) HCAR2CRBNHRH3HDAC3HDAC4
SCHEMBL4548443 0.84 CRBN (0.41) HCAR2CRBNHRH3HDAC3HDAC4
SCHEMBL4548441 0.77 CRBN (0.36) CRBNHRH3HDAC3HDAC4HDAC1
SCHEMBL24187604 0.72 CDC7 (0.48) GAAHDAC3HDAC4HDAC1HDAC6
SCHEMBL23794788 0.72 HCAR2 (0.50) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10187133 0.71 KCNJ1 (0.51) HCAR2GAAALDH1A1KDM4EEPHX2
SCHEMBL20176409 0.71 HRH3 (0.57) CRBNHRH3HDAC3HDAC4HDAC1
SCHEMBL14164243 0.70 HCAR2 (0.50) HCAR2CRBNHRH3GAAFFAR2
SCHEMBL3159765 0.70 HRH3 (0.54) CRBNHRH3HDAC3HDAC4HDAC1
SCHEMBL4092990 0.69 CRBN (0.55) CRBNHRH3HDAC3HDAC4HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 — — US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 — — US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 — — US disclosed
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 — — WO 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885CRBN 4302/4885HRH3 333/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885CRBN 4328/4885HRH3 342/4885

“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.