SCHEMBL16410462

SCHEMBL16410462

CCOc1cc(COc2ccccc2CC(=O)O)cc(-c2cccc(C(N)CF)c2F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 18/20 0.52
▸ F11 P03951 10/20 0.49
▸ TPSB2 P20231 9/20 0.49
▸ PLAU P00749 3/20 0.47
▸ KLKB1 P03952 3/20 0.47
▸ PLG P00747 2/20 0.47
▸ F7 P08709 2/20 0.47
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ F2 P00734 1/20 0.40
▸ F9 P00740 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC18A2 Q05940 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL17764406 0.91 CFD (0.55) CFDF11TPSB2PLAUKLKB1
SCHEMBL16397313 0.91 CFD (0.55) CFDF11TPSB2PLAUKLKB1
SCHEMBL16396343 0.90 CFD (0.61) CFDF11TPSB2PLAUKLKB1
SCHEMBL16396446 0.89 CFD (0.49) CFDF11TPSB2PLAUKLKB1
SCHEMBL16396368 0.87 CFD (0.61) CFDF11TPSB2PLAUKLKB1
SCHEMBL16397089 0.85 CFD (0.53) CFDF11TPSB2PLAUKLKB1
SCHEMBL16396974 0.85 CFD (0.53) CFDF11TPSB2PLAUKLKB1
SCHEMBL16396975 0.85 CFD (0.53) CFDF11TPSB2PLAUKLKB1
SCHEMBL17764256 0.85 CFD (0.46) CFDF11TPSB2PLAUKLKB1
SCHEMBL16396408 0.85 CFD (0.46) CFDF11TPSB2PLAUKLKB1

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 4 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
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.

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