SCHEMBL7312929

SCHEMBL7312929

CC(C)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
TET2 Q6N021 3/20 0.48
KDM4A O75164 2/20 0.48
KDM4C Q9H3R0 2/20 0.48

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
SCHEMBL1437835 1.00 CYP1A2 (0.58) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL455125 0.86 CYP1A2 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL10037209 0.86 CYP1A2 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL9354844 0.84 LMNA (0.48) CYP1A2TDP1
SCHEMBL13726724 0.84 TET2 (0.57) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL9651431 0.83 SLC1A3 (0.45) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL8606739 0.83 CYP1A2 (0.56) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL11584000 0.83 GABRP (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL12622337 0.83 CYP1A2 (0.56) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL9543080 0.82 TSHR (0.50) TDP1

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-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US disclosed
EP-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL CYP1A2 946/4885GABRP 887/4885GABRD 2660/4885

“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.