SCHEMBL534991

SCHEMBL534991

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 2/20 0.41
KDM2A Q9Y2K7 5/20 0.38
TET2 Q6N021 3/20 0.38
KDM4A O75164 2/20 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
SCHEMBL8906866 0.74 HDAC6 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL247201 0.70 CHRNB2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9685403 0.70
SCHEMBL7064870 0.70
SCHEMBL15904350 0.69 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9240883 0.69
SCHEMBL198528 0.68 CYP1A2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL198527 0.68 CYP1A2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4919499 0.68 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15905297 0.67 CYP1A2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2

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-10174132-B2 Heparan sulfate synthesis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2019-01-08 US disclosed
US-20160060365-A1 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2016-03-03 US disclosed
WO-2014140626-A2 PROCESS FOR THE PREPARATION OF POLYSACCHARIDES THE UNIVERSITY OF MANCHESTER (GB) 2014-09-18 WO disclosed
US-20120142560-A1 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-06-07 US disclosed
EP-2414371-A2 HEPARAN SULFATE SYNTHESIS The University Of Georgia Research Foundation, Inc (US) 2012-02-08 EP disclosed
WO-2010117803-A2 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-10-14 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-10174132-B2 Heparan sulfate synthesis HPSE, STT3B, DDOST GABRP 3380/4885GABRD 2571/4885GABRA1 3328/4885
US-20160060365-A1 HEPARAN SULFATE SYNTHESIS HPSE, STT3B, DDOST GABRP 3380/4885GABRD 2571/4885GABRA1 3328/4885

“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.