SCHEMBL5564567

SCHEMBL5564567

COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(Cl)cc3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 7/20 1.00
▸ PTGS2 P35354 2/20 0.83
▸ CA12 O43570 2/20 0.81
▸ CA9 Q16790 2/20 0.81
▸ CA2 P00918 7/20 0.81
▸ CA1 P00915 6/20 0.81
▸ KDM4E B2RXH2 1/20 0.81
▸ PDE5A O76074 1/20 0.81
▸ ALDH1A1 P00352 1/20 0.81
▸ GLA P06280 1/20 0.81
▸ GAA P10253 1/20 0.81
▸ MAPT P10636 1/20 0.81
▸ CDC42 P60953 1/20 0.81
▸ ATM Q13315 1/20 0.81
▸ NPSR1 Q6W5P4 1/20 0.81
▸ ACHE P22303 2/20 0.77
▸ MMP2 P08253 2/20 0.74
▸ MMP9 P14780 2/20 0.74

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
SCHEMBL18827569 0.95 PTGS2 (0.92) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL12494043 0.89 L3MBTL1 (1.00) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL15197341 0.89 CA1 (1.00) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL18826390 0.87 CA12 (0.80) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL15197348 0.86 PTGS2 (0.77) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL15197343 0.86 PTGS2 (0.77) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL18826388 0.86 CA1 (0.91) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL15197347 0.86 CA1 (1.00) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL18826382 0.84 L3MBTL1 (0.84) L3MBTL1PTGS2CA12CA9CA2
SCHEMBL18827566 0.84 PTGS2 (0.89) L3MBTL1PTGS2CA12CA9CA2

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-9259415-B2 Efficacy in treating bacterial infections BALL STATE INNOVATION CORPORATION (US) 2016-02-16 — — US disclosed
US-9259415-B2 Efficacy in treating bacterial infections BALL STATE INNOVATION CORPORATION (US) 2016-02-16 — — US disclosed
US-20130217744-A1 EFFICACY IN TREATING BACTERIAL INFECTIONS BALL STATE UNIVERSITY 2013-08-22 — — US disclosed
US-20130217744-A1 EFFICACY IN TREATING BACTERIAL INFECTIONS BALL STATE UNIVERSITY 2013-08-22 — — US disclosed
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury STEPHENSON DIANE T 2007-06-28 — — US 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-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PTGS2, PTGS1, PTGES2 L3MBTL1 3169/4885PTGS2 1/4885CA12 1857/4885
US-20130217744-A1 EFFICACY IN TREATING BACTERIAL INFECTIONS CDC42, RAC1, CDC42BPG L3MBTL1 1907/4885PTGS2 1588/4885CA12 4874/4885

“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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