SCHEMBL20595912

SCHEMBL20595912

COc1ccc(-c2ccc(NS(C)(=O)=O)c3nc(CC(=O)O)cn23)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ HPSE Q9Y251 2/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HAVCR2 Q8TDQ0 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33

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
SCHEMBL23419543 0.87 LMNA (0.36) TDP1HPSECHRNB2CHRNB4CHRNA3
SCHEMBL20596051 0.86 CA12 (0.37) MAP2K4MCHR1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL20596625 0.84 ABL1 (0.37) HSP90AA1ALDH1A1LMNASMN1; SMN2
SCHEMBL30145306 0.84 ABL1 (0.37) HSP90AA1ALDH1A1LMNASMN1; SMN2
SCHEMBL20596077 0.83 HSP90AA1 (0.39) PTGS1AKR1C3AKR1C2HSP90AA1HSP90AB1
SCHEMBL20596133 0.79 MARS2 (0.52) MAP2K4TDP1PTK2HAVCR2HSP90AA1
SCHEMBL30145317 0.77 MARS2 (0.44) TDP1PTGS1AKR1C3AKR1C2ALDH1A1
SCHEMBL20595852 0.74 CYP11B1 (0.41) TDP1PTGS1AKR1C3AKR1C2ALDH1A1
SCHEMBL20595835 0.74 MEN1 (0.38) SCN9AHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL20596538 0.74 LMNA (0.38) TDP1HSP90AA1HSP90AB1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 — — US disclosed
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 — — US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 — — US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 — — US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 — — 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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 MAP2K4 4805/4885TDP1 214/4885MCHR1 1285/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR MAP2K4 4822/4885TDP1 502/4885MCHR1 1660/4885

“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.

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