SCHEMBL16397233

SCHEMBL16397233

COC(=O)Cc1ccc(C(N)=O)cc1OCc1cccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
CFD P00746 4/20 0.40
F11 P03951 3/20 0.40
TPSB2 P20231 3/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
F7 P08709 1/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.39
FAAH O00519 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GLS O94925 2/20 0.38
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GRM2 Q14416 1/20 0.37
NAMPT P43490 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL16396606 0.88 CFD (0.49) HDAC1CFDF11TPSB2PLG
SCHEMBL16410528 0.88 MRGPRX4 (0.41) HDAC1CFDF11TPSB2PLG
SCHEMBL16396196 0.87 BRD4 (0.40) HDAC1CFDF11TPSB2PLG
SCHEMBL16397752 0.87 BRD4 (0.40) HDAC1CFDF11TPSB2PLG
SCHEMBL16397186 0.87 BRD4 (0.40) HDAC1CFDF11TPSB2PLG
SCHEMBL16410286 0.87 CFD (0.51) HDAC1CFDF11TPSB2PLG
SCHEMBL16397040 0.85 CFD (0.41) HDAC1CFDF11TPSB2PLG
SCHEMBL16396577 0.85 PDCD1 (0.43) EGLN1
SCHEMBL16397598 0.85 BRD4 (0.39) HDAC1CFDF11TPSB2PLG
SCHEMBL17772657 0.84 CFD (0.46) HDAC1CFDF11TPSB2PLG

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 5 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
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 HDAC1 3377/4885CFD 1/4885F11 17/4885

“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.