Sugi Predict

Sugi Predict / Compounds / SCHEMBL2408595

SCHEMBL2408595

SCHEMBL2408595

OB(c1ccccc1)c1ccc(COCCOc2ccc(B(O)c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 2/20 0.44
▸ ORAI2 Q96SN7 2/20 0.44
▸ ORAI3 Q9BRQ5 2/20 0.44
▸ TRPV6 Q9H1D0 2/20 0.44
▸ PCSK9 Q8NBP7 1/20 0.44
▸ APP P05067 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ LYPLA1 O75608 1/20 0.41
▸ LYPLA2 O95372 1/20 0.41

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
SCHEMBL4817895 0.86 CA1 (0.49) L3MBTL1PPARGLMNACYP1A2PTGS1
SCHEMBL2412463 0.85 LMNA (0.58) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2400633 0.83 TRPV6 (0.58) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2403555 0.81 KCNA3 (0.58) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL9478520 0.81 KCNA3 (0.56) APPPKMLTA4HCHRNA7BCHE
SCHEMBL2407736 0.80 APP (0.35) APPPPARGLMNACYP1A2CYP2C19
SCHEMBL6059706 0.80 CYP1A2 (0.66) L3MBTL1LMNACYP1A2PTGS1SLC6A2
SCHEMBL16594362 0.79 TSHR (0.56) APPTDP1L3MBTL1LMNACYP1A2
SCHEMBL14083852 0.79 CHRNB2 (0.44) APPTDP1L3MBTL1PPARGLMNA
SCHEMBL16320997 0.79 LMNA (0.47) L3MBTL1PPARGLMNACYP1A2PTGS1

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
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 — — EP claimed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 — — 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 (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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 ORAI1 4605/4885ORAI2 3906/4885ORAI3 4036/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 ORAI1 58/4885ORAI2 414/4885ORAI3 588/4885

“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.