SCHEMBL16397294

SCHEMBL16397294

CC(C)(C)OC(=O)NCc1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.44
KDM4A O75164 1/20 0.43
BRD4 O60885 3/20 0.43
CREBBP Q92793 1/20 0.43
IDO1 P14902 1/20 0.39
NAMPT P43490 2/20 0.39
HDAC1 Q13547 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 1/20 0.38
CCKBR P32239 1/20 0.37
PSMB5 P28074 2/20 0.37

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
SCHEMBL1162968 0.84 GLS (0.49) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL2066975 0.83 DYRK1A (0.43) GLSKDM4ABRD4NAMPTHDAC1
SCHEMBL9893568 0.80 HDAC3 (0.42) BRD4CREBBPNAMPTHDAC1CA12
SCHEMBL3766770 0.78 CYP1A2 (0.45)
SCHEMBL6698475 0.77 ENPP2 (0.53)
SCHEMBL19291510 0.76 GLS (0.45) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL2725648 0.76 KDM4A (0.37) KDM4ANAMPTL3MBTL1CA12CA1
SCHEMBL3036815 0.76 ENPP2 (0.39) CYP3A4
SCHEMBL3135413 0.76 ENPP2 (0.37)
SCHEMBL7865700 0.75 GLS (0.58) GLSKDM4ABRD4CREBBPIDO1

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 3 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
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

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 GLS 825/4885KDM4A 1749/4885BRD4 1795/4885

“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.