SCHEMBL16410311

SCHEMBL16410311

C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cc(CCc3ccncc3)cc(COc3ccccc3CC(=O)OC(C)(C)C)c2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.39
▸ ABCB1 P08183 2/20 0.35
▸ F11 P03951 6/20 0.34
▸ TPSB2 P20231 6/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GLS O94925 2/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ KLKB1 P03952 1/20 0.32

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
SCHEMBL16397302 1.00 CFD (0.39) CFDABCB1F11TPSB2EPHX1
SCHEMBL16397303 1.00 CFD (0.39) CFDABCB1F11TPSB2EPHX1
SCHEMBL16396762 0.94 CFD (0.46) CFDABCB1F11TPSB2PTGER1
SCHEMBL16410251 0.92 CFD (0.39) CFDABCB1F11TPSB2EPHX1
SCHEMBL16410424 0.91 CFD (0.38) CFDABCB1F11TPSB2EPHX1
SCHEMBL16396845 0.90 CFD (0.39) CFDF11TPSB2PTPN1GLS
SCHEMBL16396297 0.90 CFD (0.39) CFDF11TPSB2PTPN1GLS
SCHEMBL16396989 0.89 CFD (0.38) CFDF11TPSB2EPHX1PTPN1
SCHEMBL16410338 0.89 CFD (0.38) CFDF11TPSB2EPHX1PTPN1
SCHEMBL16396991 0.89 CFD (0.38) CFDF11TPSB2EPHX1PTPN1

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
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US 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 1/4885ABCB1 253/4885F11 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.

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