SCHEMBL16680798

SCHEMBL16680798

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
FFAR1 O14842 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
PRNP P04156 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.44
EEF2K O00418 1/20 0.43
CTSA P10619 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL16680800 1.00 ALDH1A1 (0.47) ALDH1A1FFAR1KDM4EHTTPRNP
SCHEMBL19737088 0.85 SMN1; SMN2 (0.42) ALDH1A1KDM4ELMNA
SCHEMBL1144336 0.84 ATM (0.52) ALDH1A1FFAR1EEF2KLMNA
SCHEMBL26724536 0.84 ATM (0.52) ALDH1A1FFAR1EEF2KLMNA
SCHEMBL16680296 0.84 ALDH1A1 (0.54) ALDH1A1FFAR1KDM4EHTTNPSR1
SCHEMBL16680293 0.84 ALDH1A1 (0.54) ALDH1A1FFAR1KDM4EHTTNPSR1
SCHEMBL16680614 0.82 PRNP (0.44) ALDH1A1FFAR1KDM4EHTTPRNP
SCHEMBL16680610 0.82 PRNP (0.44) ALDH1A1FFAR1KDM4EHTTPRNP
SCHEMBL4882633 0.81 EEF2K (0.51) ALDH1A1KDM4EPRNPNPSR1RXFP1
SCHEMBL4882610 0.81 EEF2K (0.51) ALDH1A1KDM4EPRNPNPSR1RXFP1

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 ALDH1A1 2221/4885FFAR1 794/4885KDM4E 3839/4885

“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.