SCHEMBL931563

SCHEMBL931563

COc1ccc(Cl)cc1.O=S(=O)(Cl)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
NFE2L2 Q16236 1/20 0.56
PKM P14618 1/20 0.54
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
AHR P35869 1/20 0.48
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
1,4-Dimethoxybenzene SCHEMBL5960077 0.90 CA1 (0.65) PKMCA1CA2CA9CA12
SCHEMBL4617270 0.88 HPGD (0.59) HPGDNFE2L2PKMCA1CA2
SCHEMBL154527 0.87
SCHEMBL2226770 0.87
Hydrochloric Acid SCHEMBL11293911 0.85 CA1 (0.65) HPGDNFE2L2CA1CA2CA9
Chloromethane SCHEMBL9703019 0.85 CA1 (0.65) HPGDNFE2L2CA1CA2CA9
Iodide SCHEMBL5695908 0.85 CA1 (0.65) HPGDNFE2L2CA1CA2CA9
Water SCHEMBL9443323 0.85 CA1 (0.65) HPGDNFE2L2CA1CA2CA9
SCHEMBL4444134 0.85 CA1 (0.65) HPGDNFE2L2CA1CA2CA9
SCHEMBL28525728 0.85 CA1 (0.65) HPGDNFE2L2CA1CA2CA9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
CN-103012407-B N-[4-(1H-pyrazolo [3,4-b] pyrazine-6-base)-phenyl]-sulfonamides and the purposes as medicine thereof 赛诺菲 2016-06-29 CN disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
CN-102413693-B Nematocidal sulfonamides DU PONT 2014-01-15 CN disclosed
CN-103012407-A N-[4-(1H-pyrazolo[3,4-b]pyrazine-6-yl)-phenyl]-sulfonamides and application of N-[4-(1H-pyrazolo[3,4-b]pyrazine-6-yl)-phenyl]-sulfonamides as medicines SAI NUOFEI 2013-04-03 CN disclosed
CN-101378757-B Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV 2012-08-01 CN disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO disclosed
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 CN disclosed
CN-1165143-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1165144-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1066266-A PHOSPHOSULFONATE HERBICIDES ROHM & HAAS (US) 1992-11-18 CN 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 (3 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 HPGD 1457/4885NFE2L2 2187/4885PKM 3596/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 HPGD 2160/4885NFE2L2 2113/4885PKM 3617/4885
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 HPGD 934/4885NFE2L2 1106/4885PKM 10/4885

“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.