SCHEMBL4548404

SCHEMBL4548404

CC(Cc1cnc(Br)s1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.38
TMPRSS15 P98073 3/20 0.38
TBXAS1 P24557 2/20 0.37
RXRA P19793 1/20 0.36
NR4A2 P43354 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
APAF1 O14727 2/20 0.35
STING1 Q86WV6 4/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10312527 0.69 LIMK1 (0.43) PRSS1TMPRSS15SLC22A12
SCHEMBL2921395 0.68 PRSS1 (0.47) PRSS1TMPRSS15RXRANR4A2APAF1
SCHEMBL11739096 0.68 HCAR2 (0.48) SMN1; SMN2
SCHEMBL290401 0.68 FPR2 (0.44) SMN1; SMN2
SCHEMBL7453226 0.68 SMN1; SMN2 (0.69) SMN1; SMN2
SCHEMBL606580 0.66
SCHEMBL31021756 0.66 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL18906040 0.64 TBXAS1 (0.45) TBXAS1RXRANR4A2APAF1SMN1; SMN2
SCHEMBL25776255 0.64 RXRA (0.35) TBXAS1RXRANR4A2APAF1STING1
SCHEMBL28388882 0.64 PRSS1 (0.44) PRSS1TMPRSS15TBXAS1RXRANR4A2

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 7 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-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-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
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 PRSS1 1515/4885TMPRSS15 1465/4885TBXAS1 857/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 PRSS1 1531/4885TMPRSS15 1493/4885TBXAS1 907/4885

“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.