SCHEMBL16396855

SCHEMBL16396855

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(OCC2CC2)cc(-c2cccc(C(CO)NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 10/20 0.45
▸ TPSB2 P20231 9/20 0.45
▸ F11 P03951 9/20 0.45
▸ GPR88 Q9GZN0 3/20 0.40
▸ ACACA Q13085 2/20 0.40
▸ CACNA1B Q00975 2/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PLG P00747 2/20 0.37
▸ PLAU P00749 2/20 0.37
▸ KLKB1 P03952 2/20 0.37
▸ F7 P08709 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ F9 P00740 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC18A2 Q05940 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL16396856 1.00 CFD (0.45) CFDTPSB2F11GPR88ACACA
SCHEMBL16396481 0.94 CFD (0.52) CFDTPSB2F11GPR88FFAR1
SCHEMBL16410394 0.88 CFD (0.47) CFDTPSB2F11ACACACACNA1B
SCHEMBL16396978 0.88 CFD (0.47) CFDTPSB2F11ACACACACNA1B
SCHEMBL17764414 0.87 CFD (0.47) CFDTPSB2F11CACNA1BPLG
SCHEMBL16410476 0.87 CFD (0.47) CFDTPSB2F11CACNA1BPLG
SCHEMBL16410416 0.86 CFD (0.50) CFDTPSB2F11PLGPLAU
SCHEMBL16410445 0.86 CFD (0.51) CFDTPSB2F11CACNA1BPLG
SCHEMBL17764347 0.86 CFD (0.50) CFDTPSB2F11PLGPLAU
SCHEMBL17764331 0.86 CFD (0.51) CFDTPSB2F11CACNA1BPLG

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
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 1/4885TPSB2 248/4885F11 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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