SCHEMBL3302890

SCHEMBL3302890

[N]=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ENPP2 Q13822 8/20 0.51
▸ CD40 P25942 1/20 0.49
▸ CD40LG P29965 1/20 0.49
▸ CYP2C9 P11712 3/20 0.46
▸ PRMT1 Q99873 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ CASP6 P55212 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ PRMT3 O60678 1/20 0.42

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
SCHEMBL3666978 0.87 CYP1A2 (0.52) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL105571 0.85 CYP1A2 (0.51) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL4280353 0.81 ALDH1A1 (0.54) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL3203561 0.81 ALDH1A1 (0.54) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL4280346 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL11759576 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL1259518 0.79 CYP1A2 (0.74) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL3215642 0.78 CYP1A2 (0.62) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL517711 0.77 CASP6 (0.54) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL2527187 0.77 CYP1A2 (0.60) CYP1A2ALDH1A1HIF1AMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128457-A Medical diagnosis MILES INC. (US) 1992-07-07 — — US claimed
US-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2018-11-01 — — US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 — — US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 — — US disclosed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 — — US disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 — — US disclosed
EP-2134347-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS Prendergast, Patrick T. (AU) 2009-12-23 — — EP disclosed
US-20090156546-A1 Compositions and methods for modulating the immune system SUPPORTIVE THERAPEUTICS AG (CH) 2009-06-18 — — US disclosed
EP-2026810-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM Prendergast, Patrick T. (AU) 2009-02-25 — — EP disclosed
WO-2008110585-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS PRENDERGAST PATRICK T (AU) 2008-09-18 — — WO disclosed
WO-2007131973-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM PRENDERGAST PATRICK T (AU) 2007-11-22 — — WO disclosed
US-20040053989-A1 Dithiolthione compounds for the treatment of neurological disorders and for memory enhancement PATRICK PRENDERGAST (IE) 2004-03-18 — — US disclosed
WO-2001009118-A2 DITHIOLTHIONE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS AND FOR MEMORY ENHANCEMENT PRENDERGAST PATRICK T (IE) 2001-02-08 — — WO disclosed
EP-0348826-B1 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC (US) 1994-04-13 — — EP disclosed
US-5187265-A Medical diagnosis MILES INC. (US) 1993-02-16 — — US disclosed
US-5187105-A Process for determining thiols using chromogenic benzoisothiazolone derivatives MILES INC. (US) 1993-02-16 — — US disclosed
US-5130433-A Indicators for detection of thiol MILES INC. (US) 1992-07-14 — — US disclosed
US-5128457-A Medical diagnosis MILES INC. (US) 1992-07-07 — — US disclosed
EP-0348826-A2 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC. (US) 1990-01-03 — — EP 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 (7 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-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 CYP1A2 1543/4885ALDH1A1 2388/4885HIF1A 3170/4885
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS MTAP, TPMT, MUC1 CYP1A2 2624/4885ALDH1A1 1688/4885HIF1A 3466/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 CYP1A2 1543/4885ALDH1A1 2388/4885HIF1A 3170/4885
US-20040053989-A1 Dithiolthione compounds for the treatment of neurological disorders and for memory enhancement PNMT, CHAT, MAPT CYP1A2 3562/4885ALDH1A1 243/4885HIF1A 3991/4885
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss SI, MTPN, MUC1 CYP1A2 1543/4885ALDH1A1 2388/4885HIF1A 3170/4885
US-20090156546-A1 Compositions and methods for modulating the immune system MRE11, XPA, MPL CYP1A2 3863/4885ALDH1A1 3955/4885HIF1A 1186/4885
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM MRE11, XPA, MPL CYP1A2 3863/4885ALDH1A1 3955/4885HIF1A 1186/4885

“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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