SCHEMBL12230834

SCHEMBL12230834

O=C(Cn1sc2ccccc2c1=O)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 5/20 0.74
▸ CASP3 P42574 2/20 0.58
▸ CASP7 P55210 2/20 0.58
▸ HPGD P15428 1/20 0.56

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
SCHEMBL12205849 0.83 KAT2A (0.58) G6PDCASP3CASP7
SCHEMBL12205841 0.83 G6PD (0.65) G6PDCASP3CASP7
SCHEMBL23642163 0.77 G6PD (0.82) G6PDCASP3CASP7
SCHEMBL12230833 0.76 CASP3 (0.53) G6PDCASP3HPGD
SCHEMBL7945044 0.75 RAB9A (0.52) G6PDCASP3CASP7HPGD
SCHEMBL19392288 0.75 G6PD (0.76) G6PDCASP3CASP7
SCHEMBL13606220 0.72 KAT2A (0.69) G6PDCASP3CASP7HPGD
SCHEMBL12230840 0.72 KAT2A (0.71) G6PDCASP3CASP7HPGD
SCHEMBL12230845 0.72 KAT2A (0.70) G6PDCASP3CASP7HPGD
SCHEMBL12230837 0.71 G6PD (0.60) G6PDCASP3CASP7HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428472-B2 Methods of treating bacterial infections with 1,2-benzisothiazolinone and isoindolinone derivatives GEORGETOWN UNIVERSITY (US) 2016-08-30 — — US disclosed
US-9040715-B2 1,2-benzisothiazolinone and isoindolinone derivatives GEORGETOWN UNIVERSITY (US) 2015-05-26 — — US disclosed
EP-2344479-B1 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES UNIV GEORGETOWN (US) 2015-04-08 — — EP disclosed
US-20140296310-A1 METHODS OF TREATING BACTERIAL INFECTIONS WITH 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES GEORGETOWN UNIVERSITY (US) 2014-10-02 — — US disclosed
WO-2013025897-A1 METHODS OF TREATING BACTERIAL INFECTIONS WITH 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES GEORGETOWN UNIVERSITY (US) 2013-02-21 — — WO disclosed
US-20110251193-A1 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES WICHITA STATE UNIVERSITY (US) 2011-10-13 — — US disclosed
WO-2010039545-A2 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES GEORGETOWN UNIVERSITY (US) 2010-04-08 — — 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-20140296310-A1 METHODS OF TREATING BACTERIAL INFECTIONS WITH 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES VIP, VIL1, BAK1 G6PD 588/4885CASP3 75/4885CASP7 142/4885
US-20110251193-A1 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES HAVCR2, ERG28, ZC3HAV1 G6PD 382/4885CASP3 957/4885CASP7 861/4885

“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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