SCHEMBL2844080

SCHEMBL2844080

CCOC(=O)Cc1nc(O)cs1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL696137 0.85 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL18722146 0.82 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL11199790 0.82 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL25309164 0.82 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL2654211 0.82 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL9481311 0.81 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL2654293 0.80 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL2657920 0.80 MEN1 (0.54) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL24676677 0.78 POLB (0.46) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL13807662 0.76 MEN1 (0.61) MEN1KMT2ASMN1; SMN2MAPTHTT

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
CN-101061092-A Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK & CO INC (US) 2007-10-24 CN 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 (1 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 MEN1 2134/4885KMT2A 3675/4885SMN1; SMN2 3471/4885

“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.