SCHEMBL12230839

SCHEMBL12230839

COc1ccccc1NC(=O)Cn1sc2ccccc2c1=O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.65
▸ G6PD P11413 5/20 0.64
▸ KAT2A Q92830 3/20 0.61
▸ KAT2B Q92831 3/20 0.61
▸ CASP7 P55210 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL12205841 0.86 G6PD (0.65) CASP3G6PDKAT2AKAT2BCASP7
SCHEMBL13606220 0.80 KAT2A (0.69) CASP3G6PDKAT2AKAT2BCASP7
SCHEMBL9274624 0.78 KAT2A (0.66) CASP3G6PDKAT2AKAT2B
SCHEMBL13606221 0.76 G6PD (0.72) CASP3G6PDKAT2AKAT2BCASP7
SCHEMBL23642163 0.75 G6PD (0.82) CASP3G6PDKAT2AKAT2BCASP7
SCHEMBL12205840 0.75 KAT2A (0.66) CASP3G6PDKAT2AKAT2BCASP7
SCHEMBL12230836 0.74 KAT2A (0.86) CASP3G6PDKAT2AKAT2BCASP7
SCHEMBL12230834 0.74 G6PD (0.74) CASP3G6PDCASP7
SCHEMBL12205838 0.74 CASP3 (0.63) CASP3G6PDKAT2AKAT2BCASP7
SCHEMBL12179299 0.73 CASP3 (0.65) CASP3G6PDKAT2AKAT2B

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 6 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
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 CASP3 75/4885G6PD 588/4885KAT2A 1131/4885
US-20110251193-A1 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES HAVCR2, ERG28, ZC3HAV1 CASP3 957/4885G6PD 382/4885KAT2A 2479/4885

“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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