SCHEMBL669057

SCHEMBL669057

O=[N+]([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.56
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 3/20 0.52
HIF1A Q16665 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NT5E P21589 2/20 0.51
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
PMP22 Q01453 2/20 0.46
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL14127498 0.95 GPR35 (0.51) GPR35ALDH1A1MAPK1HIF1ATSHR
Formic Acid SCHEMBL28057340 0.93 GPR35 (0.50) GPR35ALDH1A1MAPK1HIF1ATSHR
SCHEMBL63183 0.85 KMT2A (0.59) GPR35ALDH1A1MAPK1HIF1ATSHR
SCHEMBL1363964 0.85 KMT2A (0.59) GPR35ALDH1A1MAPK1HIF1ATSHR
Water SCHEMBL7210787 0.84 KMT2A (0.57) GPR35ALDH1A1MAPK1HIF1ATSHR
SCHEMBL3660349 0.84 KMT2A (0.61) GPR35ALDH1A1MAPK1HIF1ATSHR
Water SCHEMBL20573516 0.84 KMT2A (0.57) GPR35ALDH1A1MAPK1HIF1ATSHR
Hydrochloric Acid SCHEMBL4449301 0.84 KMT2A (0.57) GPR35ALDH1A1MAPK1HIF1ATSHR
SCHEMBL3148713 0.84 KMT2A (0.57) GPR35ALDH1A1MAPK1HIF1ATSHR
Water SCHEMBL29684003 0.84 KMT2A (0.57) GPR35ALDH1A1MAPK1HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034387-B2 Method for recycling of obsolete printed circuit boards ENTEGRIS, INC. (US) 2018-07-24 US claimed
US-9731368-B2 Apparatus and method for stripping solder metals during the recycling of waste electrical and electronic equipment ENTEGRIS, INC. (US) 2017-08-15 US claimed
US-9649712-B2 Apparatus and method for stripping solder metals during the recycling of waste electrical and electronic equipment ENTEGRIS, INC. (US) 2017-05-16 US claimed
US-20170079146-A1 METHOD FOR RECYCLING OF OBSOLETE PRINTED CIRCUIT BOARDS ADVANCED TECH MATERIALS (US) 2017-03-16 US claimed
EP-2790845-B1 APPARATUS AND METHOD FOR STRIPPING SOLDER METALS DURING THE RECYCLING OF WASTE ELECTRICAL AND ELECTRONIC EQUIPMENT ENTEGRIS INC (US) 2017-02-08 EP claimed
CN-103402659-B Apparatus and method for stripping solder metal during recycling of discarded electrical and electronic equipment MYKROLIS CORP. (US) 2016-11-30 CN claimed
CN-103717570-B The preparation of sitagliptin intermediate LEK PHARMACEUTICALS D.D. (SI) 2016-05-18 CN claimed
US-20160122846-A1 SUSTAINABLE PROCESS FOR RECLAIMING PRECIOUS METALS AND BASE METALS FROM E-WASTE ENTEGRIS, INC. 2016-05-05 US claimed
US-20160095230-A1 METHOD FOR RECYCLING OF OBSOLETE PRINTED CIRCUIT BOARDS ENTEGRIS, INC. 2016-03-31 US claimed
CN-103608328-B The preparation of sitagliptin intermediate LEK PHARMACEUTICALS D.D. (SI) 2016-02-10 CN claimed
US-9221114-B2 Apparatus and method for stripping solder metals during the recycling of waste electrical and electronic equipment ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2015-12-29 US claimed
US-9215813-B2 Method for recycling of obsolete printed circuit boards ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2015-12-15 US claimed
EP-2714646-B1 PREPARATION OF SITAGLIPTIN INTERMEDIATES LEK PHARMACEUTICALS (SI) 2015-11-04 EP claimed
US-9174930-B2 Preparation of sitagliptin intermediates LEK PHARMACEUTICALS D.D. (SI) 2015-11-03 US claimed
US-20140213810-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2014-07-31 US claimed
CN-103717570-A Preparation of sitagliptin intermediates LEK PHARMACEUTICALS 2014-04-09 CN claimed
CN-103608328-A Preparation of sitagliptin intermediates LEK PHARMACEUTICALS 2014-02-26 CN claimed
EP-2694466-A2 PREPARATION OF SITAGLIPTIN INTERMEDIATES LEK Pharmaceuticals d.d. (SI) 2014-02-12 EP claimed
WO-2012136383-A2 PREPARATION OF SITAGLIPTIN INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2012-10-11 WO claimed
EP-2508506-A1 Preparation of sitagliptin intermediates LEK Pharmaceuticals d.d. (SI) 2012-10-10 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140213810-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATES DPP4, DPP3, DPP9 GPR35 2643/4885ALDH1A1 1546/4885MAPK1 3136/4885

“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.