SCHEMBL16396196

SCHEMBL16396196

CCc1ccc(CC(=O)OC)c(OCc2cccc(-c3cccc(CNC(=O)OC(C)(C)C)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.40
HDAC1 Q13547 2/20 0.40
GLS O94925 3/20 0.39
CFD P00746 3/20 0.39
F11 P03951 3/20 0.39
TPSB2 P20231 3/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
F7 P08709 1/20 0.39
PDE5A O76074 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 1/20 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
SCHEMBL16397186 0.93 BRD4 (0.40) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16396606 0.92 CFD (0.49) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16396761 0.92 CFD (0.48) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16410528 0.90 MRGPRX4 (0.41) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16397752 0.89 BRD4 (0.40) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16397602 0.89 BRD4 (0.41) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16410286 0.89 CFD (0.51) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16397598 0.88 BRD4 (0.39) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16396681 0.88 BRD4 (0.37) BRD4CREBBPHDAC1GLSCFD
SCHEMBL17772662 0.88 MTNR1A (0.42) CFDF11TPSB2PLGPLAU

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 BRD4 1795/4885CREBBP 4650/4885HDAC1 3377/4885

“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.