SCHEMBL5692256

SCHEMBL5692256

C[C@](O)(Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
GABRA1 P14867 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
GABRR1 P24046 1/20 0.53
GABRR2 P28476 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
KDM4E B2RXH2 2/20 0.51
PMP22 Q01453 2/20 0.51
MAPT P10636 1/20 0.51
ARG1 P05089 1/20 0.48
ARG2 P78540 1/20 0.48
HRH3 Q9Y5N1 3/20 0.48
HRH4 Q9H3N8 2/20 0.48
SLC7A5 Q01650 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL2264740 0.81 ARG1 (0.53) FDPSALDH1A1CYP3A4GABRA1TSHR
SCHEMBL2264734 0.81 ARG1 (0.53) FDPSALDH1A1CYP3A4GABRA1TSHR
SCHEMBL502104 0.75 PKM (0.52) FDPSALDH1A1TSHRNFKB1KDM4E
SCHEMBL20644246 0.75 HRH4 (0.57) FDPSALDH1A1CYP3A4GABRA1TSHR
SCHEMBL3510790 0.73 ALDH1A1 (0.59) FDPSALDH1A1CYP3A4GABRA1TSHR
SCHEMBL30165180 0.73 LNPEP (0.52) ALDH1A1CYP3A4NFKB1HRH3HRH4
SCHEMBL11611208 0.72 ARG1 (0.51) FDPSALDH1A1CYP3A4GABRA1TSHR
SCHEMBL11159616 0.72 ARG1 (0.61) FDPSALDH1A1CYP3A4GABRA1TSHR
SCHEMBL11154182 0.72 ARG1 (0.61) FDPSALDH1A1CYP3A4GABRA1TSHR
SCHEMBL14198967 0.72 QPCT (0.49) FDPSALDH1A1CYP3A4GABRA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904275-B1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS UNIV MCGILL (CA) 2006-05-17 EP disclosed
US-6861518-B2 Hybrid oligonucleotide MCGILL UNIVERSITY (CA) 2005-03-01 US disclosed
US-20040097722-A9 Preparation of phosphorothioate oligomers MCGILL UNIVERSITY 2004-05-20 US disclosed
US-20030229219-A1 Preparation of phosphorothioate oligomers ISIS PHARMACEUTICALS, INC. 2003-12-11 US disclosed
US-6596857-B1 Oligomer for use as tool in human diagnostics and therapeutics MCGILL UNIVERSITY (CA) 2003-07-22 US disclosed
US-20030114660-A1 Preparation of phosphorothioate oligomers JUST GEORGE (CA) 2003-06-19 US disclosed
US-6476216-B1 Preparation of phosphorothioate oligomers MCGILL UNIVERSITY (CA) 2002-11-05 US disclosed
US-6160109-A Preparation of phosphorothioate and boranophosphate oligomers ISIS PHARMACEUTICALS, INC. (US) 2000-12-12 US disclosed
US-6031092-A Preparation of phosphorothioate oligomers MC GILL UNIVERSITY (CA) 2000-02-29 US disclosed
US-5945521-A Preparation of phosphorothioate oligomers MCGILL UNIVERSITY (CA) 1999-08-31 US disclosed
EP-0904275-A1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS McGILL UNIVERSITY (CA) 1999-03-31 EP disclosed
US-5734041-A Preparation of chiral phosphorothioate oligomers MCGILL UNIVERSITY (CA) 1998-03-31 US disclosed
WO-1997014710-A1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS MCGILL UNIVERSITY (US) 1997-04-24 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 (3 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-20030114660-A1 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP FDPS 894/4885ALDH1A1 3421/4885CYP3A4 4574/4885
US-20030229219-A1 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP FDPS 894/4885ALDH1A1 3421/4885CYP3A4 4574/4885
US-20040097722-A9 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP FDPS 894/4885ALDH1A1 3421/4885CYP3A4 4574/4885

“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.