SCHEMBL16410393

SCHEMBL16410393

COCc1cc(COc2ccccc2CC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.41
▸ F11 P03951 7/20 0.41
▸ TPSB2 P20231 4/20 0.41
▸ MTNR1A P48039 5/20 0.37
▸ MTNR1B P49286 5/20 0.37
▸ AAK1 Q2M2I8 2/20 0.37
▸ KLKB1 P03952 4/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL16396123 0.90 AAK1 (0.40) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16397485 0.88 CFD (0.41) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16396471 0.88 AAK1 (0.37) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16397858 0.87 AAK1 (0.38) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16396953 0.87 CFD (0.52) CFDF11TPSB2KLKB1PLG
SCHEMBL16397476 0.85 PTGER1 (0.37) —
SCHEMBL16396865 0.84 RIPK1 (0.36) CFDF11MTNR1AMTNR1BAAK1
SCHEMBL16410272 0.83 HDAC3 (0.33) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410305 0.83 AAK1 (0.35) CFDF11MTNR1AMTNR1BAAK1
SCHEMBL16410271 0.82 CFD (0.34) CFDF11TPSB2AAK1KLKB1

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 1/4885F11 17/4885TPSB2 248/4885

“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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