SCHEMBL8551405

SCHEMBL8551405

CCOC(=O)c1c(C)cc[n+]([O-])c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 4/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4068248 0.85 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL8550289 0.83 RAB9A (0.47) SMN1; SMN2CYP3A4TDP1TSHRALDH1A1
SCHEMBL16599987 0.79 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL30513253 0.79 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL28152848 0.73 TSHR (0.41) CA12CA1CA2CA7CA9
SCHEMBL4470759 0.70 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL26493679 0.70 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL570471 0.70 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL4159419 0.69 TSHR (0.47) CA12CA1CA2CA7CA9
SCHEMBL31409354 0.69 TSHR (0.47) CA12CA1CA2CA7CA9

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
US-12404279-B2 Deubiquitinase inhibitors and methods of use thereof MOLECURE S.A. (PL) 2025-09-02 US disclosed
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 EP disclosed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed
EP-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
EP-0714393-A1 THIAZOLES AS ANTIVIRAL PFIZER INC. (US) 1996-06-05 EP disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 CA12 2698/4885CA1 1962/4885CA2 4123/4885
US-12404279-B2 Deubiquitinase inhibitors and methods of use thereof USP7, USP28, USP1 CA12 2698/4885CA1 1962/4885CA2 4123/4885

“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.