SCHEMBL16396752

SCHEMBL16396752

C=CCCc1ccc(CC(=O)O)c(OCc2cccc(-c3cccc(CNC(=O)OC(C)(C)C)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 10/20 0.44
F11 P03951 9/20 0.44
TPSB2 P20231 8/20 0.44
KLKB1 P03952 2/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
F7 P08709 1/20 0.44
HDAC1 Q13547 1/20 0.41
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
GLS O94925 3/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
RXRA P19793 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
CTSB P07858 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
SCHEMBL16396681 0.92 BRD4 (0.37) CFDF11TPSB2KLKB1PLG
SCHEMBL16396761 0.88 CFD (0.48) CFDF11TPSB2KLKB1PLG
SCHEMBL17764447 0.85 CFD (0.49) CFDF11TPSB2KLKB1PLG
SCHEMBL16397392 0.84 CFD (0.45) CFDF11TPSB2KLKB1PLG
SCHEMBL16397186 0.80 BRD4 (0.40) CFDF11TPSB2KLKB1PLG
SCHEMBL16396196 0.80 BRD4 (0.40) CFDF11TPSB2KLKB1PLG
SCHEMBL17764395 0.80 CFD (0.51) CFDF11TPSB2KLKB1PLG
SCHEMBL16396606 0.79 CFD (0.49) CFDF11TPSB2KLKB1PLG
SCHEMBL16410244 0.79 CFD (0.48) CFDF11TPSB2KLKB1PLG
SCHEMBL17764291 0.78 CFD (0.54) CFDF11TPSB2KLKB1PLG

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 CFD 1/4885F11 17/4885TPSB2 248/4885

“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.