SCHEMBL16396471

SCHEMBL16396471

CCOc1cc(COc2ccccc2CC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.37
▸ SLC16A3 O15427 3/20 0.35
▸ SLC16A1 P53985 3/20 0.35
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ CFD P00746 5/20 0.34
▸ F11 P03951 5/20 0.34
▸ KLKB1 P03952 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33

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
SCHEMBL16396865 0.89 RIPK1 (0.36) AAK1SLC16A3SLC16A1MTNR1AMTNR1B
SCHEMBL16410393 0.88 CFD (0.41) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16397338 0.88 CFD (0.43) CFDF11KLKB1MRGPRX4ABCB1
SCHEMBL16396123 0.87 AAK1 (0.40) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16397485 0.86 CFD (0.41) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16397857 0.85 MAPT (0.37) ALDH1A1LMNAGAAMAPT
SCHEMBL16397856 0.85 MAPT (0.37) ALDH1A1LMNAGAAMAPT
SCHEMBL16397858 0.83 AAK1 (0.38) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16410272 0.81 HDAC3 (0.33) AAK1MTNR1AMTNR1BCFDF11
SCHEMBL16410305 0.81 AAK1 (0.35) AAK1MTNR1AMTNR1BCFDF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 — — EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB AAK1 3561/4885SLC16A3 4592/4885SLC16A1 4711/4885

“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.

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