SCHEMBL4658795

SCHEMBL4658795

CC1(C)OC[C@@H]([C@H](CO)NC(=O)OCc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.46
TSHR P16473 10/20 0.46
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
CASP1 P29466 1/20 0.46
CYP2C9 P11712 12/20 0.46
CYP2C19 P33261 11/20 0.46
CYP1A2 P05177 9/20 0.46
CYP2D6 P10635 7/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL27756333 1.00 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL27756338 1.00 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL27756335 1.00 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL12540247 1.00 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL28580670 1.00 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL13691987 1.00 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL13534716 0.91 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL20263087 0.90 CYP3A4 (0.45) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL20263084 0.90 CYP3A4 (0.45) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL12540565 0.89 CYP3A4 (0.44) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853224-B2 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases INDUSTRIAL RESEARCH LIMITED (NZ) 2014-10-07 US disclosed
US-8853224-B2 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases INDUSTRIAL RESEARCH LIMITED (NZ) 2014-10-07 US disclosed
US-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases BIOCRYST PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases BIOCRYST PHARMACEUTICALS, INC. 2011-06-02 US disclosed
WO-2008030119-A9 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-09-24 WO disclosed
EP-0984000-B1 PROCESS FOR PRODUCING AMIDE DERIVATIVES AND INTERMEDIATE COMPOUNDS JAPAN TOBACCO INC (JP) 2008-12-03 EP disclosed
US-6194589-B1 USEFUL AS AN HIV(HUMAN IMMUNODEFICIENCY VIRUS) PROTEASE INHIBITOR; AS X-RAY CONTRAST MEDIUM JAPAN TOBACCO INC. (JP) 2001-02-27 US disclosed
US-6121468-A Process for producing amide derivatives and intermediate compounds JAPAN TOBACCO INC. (JP) 2000-09-19 US disclosed
EP-0984000-A1 PROCESS FOR PRODUCING AMIDE DERIVATIVES AND INTERMEDIATE COMPOUNDS Japan Tobacco Inc. (JP) 2000-03-08 EP disclosed
US-6018066-A Production of amide derivatives and intermediate compounds therefor JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
US-5962704-A Production of amide derivatives and intermediate compounds therefor JAPAN TOBACCO INC. (JP) 1999-10-05 US 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-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases PNP, TYMP, NTPCR CYP3A4 1288/4885TSHR 3078/4885ALDH1A1 2065/4885

“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.