SCHEMBL16680545

SCHEMBL16680545

O=C(O)C[C@@H](NCC(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
EEF2K O00418 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CFD P00746 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 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
SCHEMBL16680547 1.00 CTSA (0.44) CTSANPSR1PRNPRXFP1EEF2K
SCHEMBL16680215 0.84 ALDH1A1 (0.50) NPSR1LMNAGAAFFAR1ALDH1A1
SCHEMBL16680217 0.84 ALDH1A1 (0.50) NPSR1LMNAGAAFFAR1ALDH1A1
SCHEMBL16679992 0.81 FFAR1 (0.47) CTSANPSR1PRNPRXFP1EEF2K
SCHEMBL16679989 0.81 FFAR1 (0.47) CTSANPSR1PRNPRXFP1EEF2K
SCHEMBL16681340 0.79 CTSA (0.45) CTSANPSR1PRNPRXFP1EEF2K
SCHEMBL29288506 0.79 FFAR1 (0.46) CTSANPSR1PRNPRXFP1EEF2K
SCHEMBL29288504 0.79 FFAR1 (0.46) CTSANPSR1PRNPRXFP1EEF2K
SCHEMBL16681339 0.79 CTSA (0.45) CTSANPSR1PRNPRXFP1EEF2K
SCHEMBL4848539 0.77 CTSA (0.49) CTSANPSR1PRNPRXFP1EEF2K

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104662015-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-03-29 CN disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US 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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI CTSA 1646/4885NPSR1 3869/4885PRNP 2058/4885

“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.