SCHEMBL7209554

SCHEMBL7209554

Nc1nc(SCCCC(=O)O)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.41
PLA2G2A P14555 5/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIRT2 Q8IXJ6 1/20 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
SCHEMBL10174463 0.94 L3MBTL1 (0.48) L3MBTL1MAPK1ALDH1A1ADORA3KDM4E
SCHEMBL7208457 0.89 TLR7 (0.42) L3MBTL1MAPK1ALDH1A1KDM4EGAA
SCHEMBL7205405 0.88 MAPK1 (0.48) MAPK1ADORA3TSHR
SCHEMBL2060499 0.87 KDM4E (0.47) L3MBTL1MAPK1ALDH1A1KDM4EGAA
SCHEMBL7205545 0.87 TLR7 (0.47)
SCHEMBL7208584 0.87 MAPK1 (0.47) MAPK1ADORA3TSHR
SCHEMBL7206750 0.87 CXCL12 (0.45) L3MBTL1MAPK1ALDH1A1KDM4EGAA
SCHEMBL7210239 0.87 ABCB1 (0.50) MAPK1ALDH1A1ADORA3GAATSHR
SCHEMBL7204088 0.86 TLR7 (0.47) ADORA3
SCHEMBL3874062 0.85 MAPK1 (0.56) L3MBTL1MAPK1ALDH1A1ADORA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822407-B2 Preparation of conjugates comprising adenine derivatives and allergenic proteins and their use for specific immunotherapy of allengenic diseases UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-09-02 US disclosed
US-8822407-B2 Preparation of conjugates comprising adenine derivatives and allergenic proteins and their use for specific immunotherapy of allengenic diseases UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-09-02 US disclosed
US-8822407-B2 Preparation of conjugates comprising adenine derivatives and allergenic proteins and their use for specific immunotherapy of allengenic diseases UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-09-02 US disclosed
EP-2600899-B1 PREPARATION OF CONJUGATES COMPRISING ADENINE DERIVATIVES AND ALLERGENIC PROTEINS AND THEIR USE FOR SPECIFIC IMMUNOTHERAPY OF ALLERGENIC DISEASES UNIV FIRENZE (IT) 2014-06-25 EP disclosed
US-20130136764-A1 PREPARATION OF CONJUGATES COMPRISING ADENINE DERIVATIVES AND ALLERGENIC PROTEINS AND THEIR USE FOR SPECIFIC IMMUNOTHERAPY OF ALLENGENIC DISEASES UNIVERSITA ' DEGLI STUDI DI FIRENZE (IT) 2013-05-30 US disclosed
US-20130136764-A1 PREPARATION OF CONJUGATES COMPRISING ADENINE DERIVATIVES AND ALLERGENIC PROTEINS AND THEIR USE FOR SPECIFIC IMMUNOTHERAPY OF ALLENGENIC DISEASES UNIVERSITA ' DEGLI STUDI DI FIRENZE (IT) 2013-05-30 US disclosed
US-20130136764-A1 PREPARATION OF CONJUGATES COMPRISING ADENINE DERIVATIVES AND ALLERGENIC PROTEINS AND THEIR USE FOR SPECIFIC IMMUNOTHERAPY OF ALLENGENIC DISEASES UNIVERSITA ' DEGLI STUDI DI FIRENZE (IT) 2013-05-30 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

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-20130136764-A1 PREPARATION OF CONJUGATES COMPRISING ADENINE DERIVATIVES AND ALLERGENIC PROTEINS AND THEIR USE FOR SPECIFIC IMMUNOTHERAPY OF ALLENGENIC DISEASES ENPP2, LTC4S, C3AR1 L3MBTL1 2030/4885MAPK1 2541/4885PLA2G2A 39/4885

“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.