SCHEMBL3275556

SCHEMBL3275556

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
FOLH1 Q04609 12/20 0.46
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
CYP1A2 P05177 1/20 0.42
PLA2G10 O15496 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
SCHEMBL3273833 1.00 MME (0.47) MMEFOLH1GABRPGABRDGABRA1
SCHEMBL1419634 1.00 MME (0.47) MMEFOLH1GABRPGABRDGABRA1
SCHEMBL3931367 0.86 GABRP (0.43) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL11414780 0.85 CYP1A2 (0.44) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL1419611 0.85 SLC1A1 (0.50) MMEFOLH1CA1CA2
SCHEMBL994043 0.83 FOLH1 (0.41) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL2979680 0.81 MME (0.53) MMEFOLH1CA1CA2
SCHEMBL16350134 0.80 FOLH1 (0.39) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL764175 0.80 FOLH1 (0.39) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL1177029 0.80 MME (0.58) MMECA1CA2

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-20100087525-A1 STEREOSELECTIVE ENZYMATIC SYNTHESIS OF (S) OR (R)-ISO-BUTYL-GLUTARIC ESTER TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-04-08 US disclosed
WO-2009158343-A1 STEREOSELECTIVE ENZYMATIC SYNTHESIS OF (S) OR (R)-ISO-BUTYL-GLUTARIC ESTER TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-12-30 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 (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-20100087525-A1 STEREOSELECTIVE ENZYMATIC SYNTHESIS OF (S) OR (R)-ISO-BUTYL-GLUTARIC ESTER COASY, HSD17B12, GABRB2 MME 851/4885FOLH1 718/4885GABRP 17/4885

“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.