SCHEMBL1232129

SCHEMBL1232129

CC(=O)OCc1ccc(C#N)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
CYP19A1 P11511 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
GSK3B P49841 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
SETDB1 Q15047 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1232549 0.88 ALDH1A1 (0.38) FFAR1ALDH1A1MAPTCYP3A4KMT2A
SCHEMBL24129394 0.80 MEN1 (0.44) FFAR1ALDH1A1MAPTCYP3A4KMT2A
SCHEMBL28640226 0.79 ALDH1A1 (0.43) ALDH1A1MAPTCYP3A4KMT2AMEN1
SCHEMBL31019228 0.79 ALDH1A1 (0.43) ALDH1A1MAPTCYP3A4KMT2AMEN1
SCHEMBL20568243 0.78 PARP15 (0.43) FFAR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL30427245 0.78 PARP15 (0.43) FFAR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16585049 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AGSK3BTDP1
SCHEMBL4655268 0.78 CYP3A4 (0.55) ALDH1A1MAPTCYP3A4KMT2AMEN1
SCHEMBL8114634 0.77 VCAM1 (0.49) ALDH1A1MAPTKMT2AMEN1MAOB
SCHEMBL2177944 0.77 PKM (0.40) ALDH1A1MAPTCYP3A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220184184-A1 GLUCOSE SENSITIVE INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2022-06-16 US disclosed
EP-3946363-A2 GLUCOSE SENSITIVE INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2022-02-09 EP disclosed
WO-2020201041-A2 GLUCOSE SENSITIVE INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2020-10-08 WO disclosed
US-10314308-B2 Microbiocidal benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2019-06-11 US disclosed
US-10314308-B2 Microbiocidal benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2019-06-11 US disclosed
US-20180000090-A1 MICROBIOCIDAL BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-04 US disclosed
US-20180000090-A1 MICROBIOCIDAL BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-04 US disclosed
EP-3245214-A1 MICROBIOCIDAL BENZOXABOROLES Syngenta Participations AG (CH) 2017-11-22 EP disclosed
WO-2016113303-A1 MICROBIOCIDAL BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-07-21 WO disclosed
WO-2016113303-A1 MICROBIOCIDAL BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-07-21 WO disclosed
US-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
WO-2011022337-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-24 WO disclosed
WO-2011022337-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-24 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 (4 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-20220184184-A1 GLUCOSE SENSITIVE INSULIN DERIVATIVES IAPP, IRS1, GPR119 FFAR1 346/4885ALDH1A1 3266/4885MAPT 1830/4885
US-20180000090-A1 MICROBIOCIDAL BENZOXABOROLES MPO, MANBA, BROX FFAR1 1422/4885ALDH1A1 1114/4885MAPT 3662/4885
US-10314308-B2 Microbiocidal benzoxaboroles MPO, MANBA, BROX FFAR1 1422/4885ALDH1A1 1114/4885MAPT 3662/4885
US-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP FFAR1 4642/4885ALDH1A1 4684/4885MAPT 3310/4885

“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.