SCHEMBL13581344

SCHEMBL13581344

CN1C(=O)O[C@@](C)(Cc2ccc(CBr)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
EP300 Q09472 3/20 0.33
ELANE P08246 2/20 0.33
CREBBP Q92793 2/20 0.33
HIF1A Q16665 1/20 0.33
CTSG P08311 1/20 0.33
PRTN3 P24158 1/20 0.33
CAPN1 P07384 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL13581345 1.00 LMNA (0.42) LMNAITGB2ICAM1ITGALEP300
SCHEMBL13581336 0.85 LMNA (0.38) LMNAELANECTSGPRTN3CAPN1
SCHEMBL13581348 0.72 TRPA1 (0.30) CES2CES1
Paramethadione SCHEMBL317346 0.70 LMNA (0.56) LMNAELANECTSGPRTN3
SCHEMBL1363134 0.69 LMNA (0.54) LMNA
SCHEMBL13581326 0.68 HCAR2 (0.40) LMNAELANECTSGPRTN3
SCHEMBL9203921 0.64 PDE3B (0.48) LMNAELANECTSGPRTN3
Trimethadione SCHEMBL28882 0.61 LMNA (1.00) LMNAELANECTSGPRTN3
SCHEMBL9027679 0.60 MEN1 (0.51)
SCHEMBL131361 0.59 ALDH1A1 (0.67) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 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 (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-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent PPARD, PPARG, PPARA LMNA 2853/4885ITGB2 2911/4885ICAM1 4176/4885

“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.