SCHEMBL12230833

SCHEMBL12230833

CC(C(=O)Nc1cccc(Oc2ccccc2)c1)n1sc2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 5/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPY5R Q15761 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MTNR1B P49286 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL7945044 0.84 RAB9A (0.52) CASP3HPGDRAB9AMAPTLMNA
SCHEMBL31217454 0.82 MAPT (0.51) CASP3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL12230834 0.76 G6PD (0.74) CASP3HPGDG6PD
SCHEMBL11748157 0.75 MTNR1B (0.68) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7945993 0.74 KMT2A (0.49) CASP3RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL11671917 0.73 ALDH1A1 (0.55) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11645434 0.72 XIAP (0.58) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15195144 0.71 S1PR1 (0.44) CASP3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL12863549 0.70 MITF (0.58) L3MBTL1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL7940591 0.68 GAA (0.46) CASP3L3MBTL1SMN1; SMN2GAAMAPT

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 CASP3 75/4885L3MBTL1 922/4885HPGD 231/4885
US-20110251193-A1 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES HAVCR2, ERG28, ZC3HAV1 CASP3 957/4885L3MBTL1 2756/4885HPGD 1778/4885

“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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