SCHEMBL16396802

SCHEMBL16396802

COCCOc1cc(C(=O)Nc2ccccc2CC(=O)OC)cc(-c2cc(F)cc(CN)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 9/20 0.60
▸ SUCNR1 Q9BXA5 7/20 0.46
▸ F11 P03951 2/20 0.46
▸ TPSB2 P20231 1/20 0.46
▸ ABCB1 P08183 1/20 0.39
▸ ROCK2 O75116 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL16403609 0.93 SUCNR1 (0.56) CFDSUCNR1F11TPSB2
SCHEMBL16397687 0.83 CFD (0.70) CFDSUCNR1F11TPSB2
SCHEMBL16403610 0.80 CFD (0.53) CFDSUCNR1F11TPSB2
SCHEMBL16410298 0.80 CFD (0.55) CFDSUCNR1F11TPSB2
SCHEMBL16410361 0.79 CFD (0.52) CFDSUCNR1F11TPSB2HDAC1
SCHEMBL16396513 0.79 CFD (0.61) CFDSUCNR1F11TPSB2ABCB1
SCHEMBL16396739 0.79 CFD (0.49) CFDSUCNR1ABCB1HTT
SCHEMBL16397193 0.79 SUCNR1 (0.47) CFDSUCNR1F11TPSB2HTT
SCHEMBL16403615 0.77 CFD (0.48) CFDSUCNR1F11TPSB2PIK3CA
SCHEMBL16410363 0.77 CFD (0.52) CFDSUCNR1F11TPSB2

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 6 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
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
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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