SCHEMBL16396407

SCHEMBL16396407

CC(Oc1ccccc1CC(=O)O)c1cccc(-c2cccc(CN)c2F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 10/20 0.50
TPSB2 P20231 9/20 0.50
F11 P03951 8/20 0.50
PLAU P00749 2/20 0.45
PLG P00747 1/20 0.45
KLKB1 P03952 1/20 0.45
F7 P08709 1/20 0.45
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CTSA P10619 3/20 0.41
LTB4R Q15722 3/20 0.41
LTB4R2 Q9NPC1 3/20 0.41

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
SCHEMBL16396359 0.84 CFD (0.65) CFDTPSB2F11PLAUPLG
SCHEMBL17764500 0.80 CFD (0.71) CFDTPSB2F11PLAUPLG
SCHEMBL16396746 0.80 CFD (0.71) CFDTPSB2F11PLAUPLG
SCHEMBL4565147 0.78 LTB4R (0.54) CFDTPSB2F11LTB4RLTB4R2
SCHEMBL4565149 0.78 LTB4R (0.54) CFDTPSB2F11LTB4RLTB4R2
SCHEMBL16410493 0.78 CFD (0.75) CFDTPSB2F11PLAUPLG
SCHEMBL16396749 0.76 CFD (0.73) CFDTPSB2F11PLAUPLG
SCHEMBL16396750 0.76 CFD (0.73) CFDTPSB2F11PLAUPLG
SCHEMBL16410220 0.76 CHRM1 (0.52) CFDTPSB2F11LTB4RLTB4R2
SCHEMBL23217217 0.73 CFD (0.60) CFDTPSB2F11PLAUPLG

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 6 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
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 CFD 1/4885TPSB2 248/4885F11 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.