SCHEMBL16397262

SCHEMBL16397262

COc1ccc(CC(=O)O)c(NC(=O)c2cccc(-c3cc(F)cc(CN)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.59
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ TYMS P04818 1/20 0.42
▸ CTSA P10619 7/20 0.41
▸ F11 P03951 1/20 0.41
▸ TPSB2 P20231 1/20 0.41
▸ SUCNR1 Q9BXA5 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PLAU P00749 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL28069940 0.89 CFD (0.68) CFDIRAK4CTSAF11TPSB2
SCHEMBL16396871 0.89 CFD (0.62) CFDIRAK4CTSAF11TPSB2
SCHEMBL16397683 0.88 CFD (0.61) CFDIRAK4CTSAF11TPSB2
SCHEMBL16397161 0.86 CFD (0.78) CFDIRAK4CTSAF11TPSB2
SCHEMBL16397441 0.82 CFD (0.61) CFDIRAK4CTSAF11TPSB2
SCHEMBL16396602 0.82 CFD (0.63) CFDCTSAF11TPSB2SUCNR1
SCHEMBL16397300 0.79 CFD (0.59) CFDIRAK4CTSAF11TPSB2
SCHEMBL16397190 0.79 CFD (0.58) CFDCTSAF11TPSB2SUCNR1
SCHEMBL16396922 0.75 CFD (1.00) CFDF11TPSB2SUCNR1PLAU
SCHEMBL17764465 0.74 CFD (0.56) CFDIRAK4CTSAF11TPSB2

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
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 1/4885IRAK4 1837/4885TYMS 2658/4885

“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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