SCHEMBL190895

SCHEMBL190895

COc1ccc(CSOSCc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.55
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APP P05067 1/20 0.52
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
Hydrochloric Acid SCHEMBL5797808 0.98 IDO1 (0.56) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6624910 0.84 IDO1 (0.57) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL28030165 0.83 CASP3 (0.43) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7377840 0.82 IDO1 (0.58) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL62037 0.81 IDO1 (0.59) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL769511 0.81 IDO1 (0.59) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1145768 0.79 IDO1 (0.57) IDO1ALDH1A1TP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL5797813 0.79 IDO1 (0.60) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL27586168 0.78 NQO1 (0.58) ALDH1A1TSHRSMN1; SMN2CA12CA1
SCHEMBL1145765 0.77 ALDH1A1 (0.57) IDO1ALDH1A1TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558001-B Manufacture the modification method of hydrazides WYETH LLC (US) 2015-09-23 CN claimed
US-20130224211-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-29 US claimed
WO-2012027555-A2 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-01 WO claimed
US-12558656-B2 Membranes and preparation thereof IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2026-02-24 US disclosed
US-11891448-B2 Glycated CD59 peptides, their preparation, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-02-06 US disclosed
US-20230140883-A1 NOVEL MEMBRANES AND PREPARATION THEREOF IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-05-11 US disclosed
US-20220162333-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-05-26 US disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-11161910-B2 Glycated CD59 peptides, their preparation, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-02 US disclosed
US-20180265589-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-09-20 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
WO-1998019672-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES 1998-09-11 WO disclosed
WO-1998019672-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES NITROMED INC. (US) 1998-05-14 WO disclosed
EP-0821589-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS Nitromed, Inc. (US) 1998-02-04 EP disclosed
US-5703073-A Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 1997-12-30 US disclosed
WO-1997034871-A1 NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS NITROMED, INC. (US) 1997-09-25 WO disclosed
WO-1997027749-A1 NITROSATED AND NITROSYLATED α-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES NITROMED, INC. (US) 1997-08-07 WO disclosed
WO-1996032946-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 1996-10-24 WO disclosed
US-5196515-A Thiolactone bifunctional chelating agents for diagnostic and therapeutic products THE JOHNS HOPKINS UNIVERSITY (US) 1993-03-23 US disclosed
US-5095111-A Thiolactone bifunctional chelating agents for diagnostic and therapeutic products THE JOHN HOPKINS UNIVERSITY (US) 1992-03-10 US 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 (8 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-20220162333-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF CD59, SIGLEC9, CD209 IDO1 2519/4885ALDH1A1 927/4885TP53 1193/4885
US-11891448-B2 Glycated CD59 peptides, their preparation, and uses thereof CD59, SIGLEC9, CD209 IDO1 2519/4885ALDH1A1 927/4885TP53 1193/4885
US-20180265589-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF CD59, SIGLEC9, CD209 IDO1 2519/4885ALDH1A1 927/4885TP53 1193/4885
US-11161910-B2 Glycated CD59 peptides, their preparation, and uses thereof CD59, SIGLEC9, CD209 IDO1 2519/4885ALDH1A1 927/4885TP53 1193/4885
US-12558656-B2 Membranes and preparation thereof EPCAM, B2M, AQP1 IDO1 4703/4885ALDH1A1 3584/4885TP53 4236/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 IDO1 4313/4885ALDH1A1 1582/4885TP53 1477/4885
US-20130224211-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF CD59, SIGLEC9, CD209 IDO1 2519/4885ALDH1A1 927/4885TP53 1193/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 IDO1 4313/4885ALDH1A1 1582/4885TP53 1477/4885

“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.