SCHEMBL7206750

SCHEMBL7206750

Nc1nc(SCC(=O)O)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7206028 0.92 HSD17B10 (0.47) SIRT2MAPK1TSHRALDH1A1KDM4E
SCHEMBL10174463 0.89 L3MBTL1 (0.48) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL7209553 0.88 TSHR (0.44) MAPK1TSHRNPSR1ADORA2AADORA1
SCHEMBL2060381 0.88 CPB1 (0.48) SMN1; SMN2SIRT2TSHRNPSR1ALDH1A1
SCHEMBL2060168 0.87 L3MBTL1 (0.45) SMN1; SMN2MAPK1TSHRADORA1ALDH1A1
SCHEMBL7208339 0.87 ADORA3 (0.48) SMN1; SMN2MAPK1TSHRNPSR1ADORA2A
SCHEMBL7209554 0.87 L3MBTL1 (0.42) SIRT2MAPK1TSHRALDH1A1KDM4E
SCHEMBL2060142 0.86 ABCB1 (0.56) SMN1; SMN2MAPK1TSHRALDH1A1KDM4E
SCHEMBL2060503 0.86 SIRT2 (0.44) SIRT2ALDH1A1GAAHPGD
SCHEMBL2060370 0.86 ADORA3 (0.43) SMN1; SMN2MAPK1TSHRNPSR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
EP-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 CXCL12 1531/4885SMN1; SMN2 4588/4885SIRT2 607/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 CXCL12 1810/4885SMN1; SMN2 4605/4885SIRT2 565/4885

“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.