SCHEMBL16410307

SCHEMBL16410307

COC(=O)Cc1ccccc1NC(=O)c1cccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 5/20 0.69
▸ SUCNR1 Q9BXA5 9/20 0.56
▸ F11 P03951 2/20 0.53
▸ TPSB2 P20231 1/20 0.53
▸ HDAC1 Q13547 3/20 0.53
▸ ABCB1 P08183 1/20 0.45
▸ NAMPT P43490 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ ITGB7 P26010 1/20 0.42

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
SCHEMBL16396912 0.84 SUCNR1 (0.57) CFDSUCNR1F11TPSB2HDAC1
SCHEMBL16396992 0.83 SUCNR1 (0.60) CFDSUCNR1F11TPSB2HDAC1
SCHEMBL16396465 0.82 CFD (1.00) CFDSUCNR1F11TPSB2ABCB1
SCHEMBL3416527 0.81 GLS (0.52) HDAC1NAMPT
SCHEMBL16410452 0.81 CFD (0.48) CFDSUCNR1F11TPSB2HDAC1
SCHEMBL16403900 0.81 CFD (0.46) CFDSUCNR1F11TPSB2HDAC1
SCHEMBL21455617 0.81 CFD (0.46) CFDSUCNR1HDAC1NAMPT
SCHEMBL21455118 0.81 CFD (0.46) CFDSUCNR1HDAC1NAMPT
SCHEMBL21439029 0.81 CFD (0.56) CFDSUCNR1HDAC1NAMPT
SCHEMBL16410204 0.80 CFD (0.47) CFDSUCNR1F11TPSB2HDAC1

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 1/4885SUCNR1 4670/4885F11 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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