SCHEMBL16397392

SCHEMBL16397392

CC(C)(C)OC(=O)NCc1cccc(-c2cccc(COc3cc(CC4CC4)ccc3CC(=O)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 7/20 0.45
F11 P03951 6/20 0.45
TPSB2 P20231 5/20 0.45
KLKB1 P03952 2/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
F7 P08709 1/20 0.45
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HDAC1 Q13547 1/20 0.41
ACACB O00763 4/20 0.41
ACACA Q13085 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL16397602 0.92 BRD4 (0.41) CFDF11TPSB2KLKB1PLG
SCHEMBL16396761 0.88 CFD (0.48) CFDF11TPSB2KLKB1PLG
SCHEMBL23218136 0.88 CFD (0.38) CFDF11TPSB2KLKB1PLG
SCHEMBL16396752 0.84 CFD (0.44) CFDF11TPSB2KLKB1PLG
SCHEMBL17772694 0.83 CFD (0.53) CFDF11TPSB2KLKB1PLG
SCHEMBL17764447 0.82 CFD (0.49) CFDF11TPSB2KLKB1PLG
SCHEMBL17764381 0.82 CFD (0.49) CFDF11TPSB2KLKB1PLG
SCHEMBL16410487 0.81 CFD (0.67) CFDF11TPSB2KLKB1PLG
SCHEMBL16396196 0.80 BRD4 (0.40) CFDF11TPSB2KLKB1PLG
SCHEMBL16397186 0.80 BRD4 (0.40) CFDF11TPSB2KLKB1PLG

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 5 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
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 1/4885F11 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.