SCHEMBL16410322

SCHEMBL16410322

CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(-c2cc(F)cc(CNC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ SUCNR1 Q9BXA5 7/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ GRM2 Q14416 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.36

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
SCHEMBL17764465 0.93 CFD (0.56) CFDIRAK4SUCNR1HDAC1CTSA
SCHEMBL16409647 0.83 HDAC1 (0.38) CFDSUCNR1HDAC1GRM2KDM4E
SCHEMBL16410301 0.81 GRM2 (0.45) SUCNR1HDAC1GRM2CTSANAMPT
SCHEMBL16396451 0.81 HDAC1 (0.44) CFDSUCNR1HDAC1KDM4ENAMPT
SCHEMBL16410204 0.81 CFD (0.47) CFDSUCNR1HDAC1NAMPT
SCHEMBL16410308 0.80 LMNA (0.41) CFDSUCNR1HDAC1GRM2KDM4E
SCHEMBL16410431 0.80 HDAC1 (0.37) CFDSUCNR1HDAC1GRM2
SCHEMBL16410357 0.80 HDAC1 (0.41) CFDSUCNR1HDAC1GRM2KDM4E
SCHEMBL16410346 0.79 HDAC1 (0.36) CFDSUCNR1HDAC1GRM2KDM4E
SCHEMBL16410368 0.79 HDAC1 (0.44) CFDSUCNR1HDAC1NAMPTNTRK1

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 1/4885IRAK4 1837/4885SUCNR1 4670/4885

“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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