SCHEMBL23857046

SCHEMBL23857046

Cc1ccnc(CO)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.44
NOS3 P29474 3/20 0.44
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DYRK1A Q13627 1/20 0.34
ABL1 P00519 2/20 0.33
RECQL P46063 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL20818525 0.88 NOS2 (0.50) NOS2NOS3ALDH1A1L3MBTL1PDE3B
SCHEMBL18900125 0.88 NOS2 (0.55) NOS2NOS3ALDH1A1L3MBTL1PDE3B
SCHEMBL1564029 0.86 NOS2 (0.44) NOS2NOS3ALDH1A1L3MBTL1PDE3B
SCHEMBL31150926 0.80 NOS2 (0.45) NOS2NOS3ALDH1A1CCR1CCR5
SCHEMBL305502 0.80 NOS2 (0.45) NOS2NOS3ALDH1A1CCR1CCR5
SCHEMBL2083503 0.80 NOS2 (0.46) NOS2NOS3ALDH1A1L3MBTL1PDE3B
SCHEMBL5648992 0.78 NOS2 (0.40) NOS2NOS3ALDH1A1CCR1CCR5
SCHEMBL31150941 0.78 NOS2 (0.40) NOS2NOS3ALDH1A1CCR1CCR5
SCHEMBL1565183 0.77 NOS2 (0.42) NOS2NOS3ALDH1A1CCR1CCR5
SCHEMBL7052034 0.77 NOS2 (0.68) NOS2NOS3ALDH1A1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254140-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2024-08-01 US disclosed
EP-4405352-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-117980303-A Novel compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-05-03 CN disclosed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
WO-2023041756-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2023-03-23 WO disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 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 (2 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-20240254140-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION C3AR1, LTB4R, C5 NOS2 661/4885NOS3 788/4885ALDH1A1 681/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 NOS2 755/4885NOS3 1014/4885ALDH1A1 842/4885

“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.