Sugi Predict

Sugi Predict / Compounds / SCHEMBL6847605

SCHEMBL6847605

SCHEMBL6847605

NCC(O)CNCCC(=O)c1ccc(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.49
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ DAO P14920 1/20 0.39
▸ KMT2A Q03164 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MELK Q14680 1/20 0.34

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
SCHEMBL13518087 0.86 GSK3B (0.54) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL6847566 0.83 GSK3B (0.51) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL13518175 0.82 GSK3B (0.44) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL6847010 0.79 KDM4E (0.47) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL6847678 0.77 GSK3B (0.57) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL6847528 0.77 GSK3B (0.57) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL13518109 0.77 GSK3B (0.57) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL13518578 0.77 GSK3B (0.50) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL13518298 0.76 GSK3B (0.56) GSK3BGAANPSR1RXFP1KDM4E
SCHEMBL16404274 0.76 GSK3B (0.56) GSK3BGAANPSR1RXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US claimed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 — — US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 — — US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 — — US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US disclosed
WO-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 — — 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 (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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 GSK3B 2593/4885GAA 1538/4885NPSR1 4686/4885

“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.