SCHEMBL16397247

SCHEMBL16397247

Cc1c(Br)cccc1COc1ccccc1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
FABP4 P15090 1/20 0.51
FABP5 Q01469 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
CFD P00746 7/20 0.50
TPSB2 P20231 7/20 0.50
F11 P03951 6/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
KLKB1 P03952 1/20 0.50
F7 P08709 1/20 0.50
FFAR4 Q5NUL3 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.45
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45

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
SCHEMBL16410208 0.83 ALDH1A1 (0.44) ALDH1A1FABP4FABP5DUSP3PTPN5
SCHEMBL6244907 0.82 AKR1B1 (0.48) DUSP3PTPN5PTPN11CTDSP1CXCL8
SCHEMBL960144 0.78 SLC22A12 (0.62) FABP4FABP5CFDTPSB2F11
SCHEMBL16396556 0.77 CFD (0.56) CFDTPSB2F11PLGPLAU
SCHEMBL16396927 0.76 CHRM1 (0.56) ALDH1A1FABP4FABP5CFDTPSB2
SCHEMBL20425167 0.76 ALDH1A1 (0.50) ALDH1A1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL31757965 0.76 CFD (0.68) ALDH1A1FABP4FABP5CFDTPSB2
SCHEMBL1007508 0.76 CFD (0.68) ALDH1A1FABP4FABP5CFDTPSB2
SCHEMBL16397860 0.75 CFD (0.67) CFDTPSB2F11PLGPLAU
SCHEMBL4114001 0.75 RXRA (0.55) FABP4FABP5FFAR4L3MBTL1PTGDR2

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 ALDH1A1 1468/4885FABP4 3012/4885FABP5 2261/4885

“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.