SCHEMBL22712554

SCHEMBL22712554

CCOC(=O)c1c(C)nc(-c2ccc(C(C)(C)C)cc2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TNKS O95271 4/20 0.47
TNKS2 Q9H2K2 4/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PARP1 P09874 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
SCHEMBL8026733 0.85 SIRT2 (0.56) USP2TSHRMAPK1HSD17B10TNKS
SCHEMBL22712550 0.82 GAA (0.45) USP2TSHRMAPK1HSD17B10MAPT
SCHEMBL22712539 0.80 HSD17B10 (0.46) USP2TSHRMAPK1HSD17B10MAPT
SCHEMBL23574396 0.78 KDM4E (0.64) TNKSTNKS2MAPTGAAPOLB
SCHEMBL2894334 0.76 ALDH1A1 (0.48) HSD17B10MAPTHTTGAAPOLB
SCHEMBL23605347 0.75 KDM4E (0.53) TSHRMAPK1HSD17B10MAPTTP53
SCHEMBL8042850 0.75 ALDH1A1 (0.47) USP2TSHRMAPK1HSD17B10TNKS
SCHEMBL23575166 0.74 KDM4E (0.52) TSHRMAPK1HSD17B10MAPTTP53
SCHEMBL23574886 0.74 KDM4E (0.52) TSHRMAPK1HSD17B10MAPTTP53
SCHEMBL22712460 0.74 KDM4E (0.52) TSHRMAPK1HSD17B10MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 EP disclosed
EP-3968983-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
EP-3968983-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 US disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 US disclosed
EP-3968983-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2022-03-23 EP disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 CN disclosed
US-11208387-B2 Macrocyclic broad spectrum antibiotics GENENTECH, INC. (US) 2021-12-28 US disclosed
US-11208387-B2 Macrocyclic broad spectrum antibiotics GENENTECH, INC. (US) 2021-12-28 US disclosed
US-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. 2020-12-03 US disclosed
US-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. 2020-12-03 US disclosed
WO-2020243155-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US) 2020-12-03 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 (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-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD USP2 1052/4885TSHR 3326/4885MAPK1 378/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD USP2 1052/4885TSHR 3326/4885MAPK1 378/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD USP2 1052/4885TSHR 3326/4885MAPK1 378/4885

“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.