SCHEMBL1200575

SCHEMBL1200575

CC(C)S(=O)(=O)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.52
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 4/20 0.38
ALKBH5 Q6P6C2 1/20 0.38

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
SCHEMBL27033144 0.82 TSHR (0.50) LMNAKMT2AALDH1A1SLC22A6TSHR
SCHEMBL19818541 0.80 ALDH1A1 (0.43) LMNAKMT2AHTTALDH1A1SLC15A2
SCHEMBL11246204 0.79 APEX1 (0.46) APEX1GABRPGABRDGABRA1GABRB1
SCHEMBL4013191 0.78 ALOX15 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11252209 0.78
SCHEMBL16473920 0.78
SCHEMBL16473938 0.75 TSHR (0.50) LMNAKMT2AHTTALDH1A1KDM4E
SCHEMBL25346926 0.74 POLB (0.48) APEX1GABRPGABRDGABRA1GABRB1
SCHEMBL11252072 0.73
SCHEMBL22917199 0.73 KMT2A (0.47) KMT2AALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 APEX1 1706/4885GABRP 2557/4885GABRD 3216/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 APEX1 1706/4885GABRP 2557/4885GABRD 3216/4885

“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.