SCHEMBL16410271

SCHEMBL16410271

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(NCC2CCCC2)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 4/20 0.34
▸ F11 P03951 4/20 0.34
▸ KLKB1 P03952 3/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ CACNA1B Q00975 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ TPSB2 P20231 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL16410305 0.97 AAK1 (0.35) CFDF11KLKB1AAK1USP30
SCHEMBL17764449 0.89 CFD (0.39) CFDF11KLKB1PPARGTPSB2
SCHEMBL16396804 0.86 CFD (0.40) CFDF11KLKB1TPSB2
SCHEMBL16396642 0.83 PTGER1 (0.36) CFDF11KLKB1CACNA1BHPGD
SCHEMBL16396865 0.83 RIPK1 (0.36) CFDF11KLKB1AAK1USP30
SCHEMBL16410393 0.82 CFD (0.41) CFDF11KLKB1AAK1TPSB2
SCHEMBL16396123 0.81 AAK1 (0.40) CFDF11KLKB1AAK1TPSB2
SCHEMBL16397485 0.80 CFD (0.41) CFDF11KLKB1AAK1TPSB2
SCHEMBL16396471 0.80 AAK1 (0.37) CFDF11KLKB1AAK1TPSB2
SCHEMBL16396785 0.80 POLB (0.36) CFDF11KLKB1TPSB2

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 2 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
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 17/4885KLKB1 104/4885

“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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