SCHEMBL16396373

SCHEMBL16396373

COC(=O)Cc1ccccc1OCc1cc(Cl)cc(C(N[S+]([O-])C(C)(C)C)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 9/20 0.36
▸ TPSB2 P20231 8/20 0.36
▸ F11 P03951 8/20 0.36
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SLC1A5 Q15758 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32

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
SCHEMBL16397044 0.92 CFD (0.43) CFDTPSB2F11F2F9
SCHEMBL16410246 0.86 CFD (0.41) CFDTPSB2F11CNR1CNR2
SCHEMBL17772639 0.85 CFD (0.40) CFDTPSB2F11SLC1A5GRN
SCHEMBL16410310 0.82 MRGPRX4 (0.41) CFDTPSB2F11CNR1CNR2
SCHEMBL16397041 0.82 CFD (0.46) CFDTPSB2F11SLC1A5MRGPRX4
SCHEMBL16396818 0.81 CFD (0.41) CFDTPSB2F11F2F9
SCHEMBL16410396 0.81 CFD (0.39) CFDTPSB2F11SLC1A5MRGPRX4
SCHEMBL16397385 0.78 CFD (0.48) CFDTPSB2F11GRNSORT1
SCHEMBL16397170 0.76 CFD (0.46) CFDTPSB2F11SLC1A5F2
SCHEMBL16396575 0.76 CFD (0.47) CFDTPSB2F11SLC1A5MRGPRX4

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 1/4885TPSB2 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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