SCHEMBL113055

SCHEMBL113055

O=S(=O)(c1ccccc1)N1OC1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 6/20 0.40
CYP2C9 P11712 2/20 0.40
PARL Q9H300 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13663246 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2APKML3MBTL1
SCHEMBL13663248 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2APKML3MBTL1
SCHEMBL2338341 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2APKML3MBTL1
SCHEMBL113655 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2APKML3MBTL1
SCHEMBL2223806 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2APKML3MBTL1
SCHEMBL1325117 0.88 MMP2 (0.55) ALDH1A1MMP2SMN1; SMN2NPSR1
SCHEMBL8956550 0.88 HTR6 (0.42) ALDH1A1RAB9AKMT2AL3MBTL1CYP2C9
SCHEMBL9770675 0.87 PTGS2 (0.41) ALDH1A1RAB9AKMT2AL3MBTL1SMN1; SMN2
SCHEMBL8956525 0.84 CYP3A4 (0.52) ALDH1A1RAB9AKMT2ACYP2C9CYP3A4
SCHEMBL25735538 0.84 LMNA (0.54) ALDH1A1RAB9APKML3MBTL1MMP2

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 1455 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117920202-A Accurate metal doping method of nano graphene based on carbon heteropolyporphyrin 北京师范大学 2024-04-26 CN claimed
CN-115466196-B Preparation method of atorvastatin calcium intermediate 宿迁阿尔法科技有限公司 2024-03-26 CN claimed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP claimed
CN-115353540-B Synthetic method and application of phenolic steroid compound 中国科学院上海有机化学研究所 2023-08-11 CN claimed
CN-115466196-A Preparation method of atorvastatin calcium intermediate 宿迁阿尔法科技有限公司 2022-12-13 CN claimed
CN-115385837-A Method for preparing astaxanthin through canthaxanthin oxidation 万华化学集团股份有限公司 2022-11-25 CN claimed
CN-115353540-A Synthetic method and application of phenolic steroid compound 中国科学院上海有机化学研究所 2022-11-18 CN claimed
CN-115260051-A Preparation process of atorvastatin calcium intermediate 江苏阿尔法药业股份有限公司 2022-11-01 CN claimed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 US claimed
CN-114031612-A (+/-) -Nicotletrone A and synthesis method of epimer thereof 西北农林科技大学 2022-02-11 CN claimed
US-20030069251-A1 Antianxiety composition BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US claimed
US-20030055063-A1 R-6-hydroxy-buspirone YEVICH JOSEPH P (US) 2003-03-20 US claimed
WO-2003009851-A1 R-6-HYDROXY-BUSPIRONE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-06 WO claimed
WO-2003010161-A1 S-6-HYDROXY-BUSPIRONE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-06 WO claimed
US-20030022899-A1 S-6-hydroxy-buspirone YEVICH JOSEPH P (US) 2003-01-30 US claimed
US-6169177-B1 EFFICIENT REMOVAL OF ALLYL PROTECTING GROUPS DURING OLIGONUCLEOTIDE SYNTHESIS BY TREATING WITH SOLUTION OF CONCENTRATED AMMONIUM HYDROXIDE CONTAINING A MERCAPTO COMPOUND ISIS PHARMACEUTICALS, INC. 2001-01-02 US claimed
EP-0446981-B1 Bleaching compounds and compositions UNILEVER NV (NL) 1996-01-03 EP claimed
EP-0264183-B1 DERIVATIVES OF 5-METHYL-10,11-DIHYDRO-5H-DIBENZO-(A,D) CYCLOHEPTEN-5,10-IMINE MERCK & CO. INC. (US) 1992-01-15 EP claimed
EP-0446981-A1 Bleaching compounds and compositions UNILEVER N.V. (NL) 1991-09-18 EP claimed
US-5045223-A N-sulfonyloxaziridines as bleaching compounds LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-09-03 US 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 (4 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-20030022899-A1 S-6-hydroxy-buspirone HTR6, HTR3A, HTR2C ALDH1A1 1392/4885RAB9A 2979/4885KMT2A 1616/4885
US-20030069251-A1 Antianxiety composition HTR7, HTR4, GABRA4 ALDH1A1 633/4885RAB9A 4400/4885KMT2A 758/4885
US-20030055063-A1 R-6-hydroxy-buspirone HTR3A, HTR1A, HTR6 ALDH1A1 1224/4885RAB9A 1959/4885KMT2A 1928/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ALDH1A1 794/4885RAB9A 3876/4885KMT2A 2123/4885

“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.