SCHEMBL17835623

SCHEMBL17835623

CNC[C@@H](Oc1ccc(C(=O)OC)cc1OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
SLC6A2 P23975 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
PMP22 Q01453 1/20 0.48
NOX1 Q9Y5S8 2/20 0.46
TTR P02766 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17835622 1.00 MAPT (0.50) MAPTKMT2AMEN1SLC6A2CYP1A2
SCHEMBL17835859 0.86 MAPT (0.51) MAPTKMT2AMEN1SLC6A2CYP1A2
SCHEMBL17835860 0.86 MAPT (0.51) MAPTKMT2AMEN1SLC6A2CYP1A2
SCHEMBL17835846 0.84 MAPT (0.49) MAPTKMT2AMEN1SLC6A2CYP1A2
SCHEMBL17835645 0.84 NOX1 (0.56) MAPTKMT2ANOX1TTRKDM4E
SCHEMBL17835845 0.84 MAPT (0.49) MAPTKMT2AMEN1SLC6A2CYP1A2
SCHEMBL17835644 0.84 NOX1 (0.56) MAPTKMT2ANOX1TTRKDM4E
SCHEMBL17835797 0.83 MAPT (0.43) MAPTKMT2AMEN1NOX1TTR
SCHEMBL17835796 0.83 MAPT (0.43) MAPTKMT2AMEN1NOX1TTR
SCHEMBL17835802 0.82 SLC6A9 (0.56) MAPTKMT2AMEN1SLC6A2CYP1A2

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-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP 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 (3 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB MAPT 1444/4885KMT2A 3963/4885MEN1 4380/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB MAPT 1444/4885KMT2A 3963/4885MEN1 4380/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB MAPT 1444/4885KMT2A 3963/4885MEN1 4380/4885

“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.