SCHEMBL260819

SCHEMBL260819

COS(=O)(=O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
ESR1 P03372 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR2 Q92731 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 6/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 2/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL31244372 1.00 MEN1 (0.47) MEN1ESR1KMT2AESR2GAA
SCHEMBL27702804 0.98 MEN1 (0.46) MEN1ESR1KMT2AESR2GAA
Sulfuric Acid Dimethyl Ester SCHEMBL29076816 0.94 MEN1 (0.44) MEN1ESR1KMT2AESR2GAA
SCHEMBL777664 0.85 HTR6 (0.43) GAAPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL29415251 0.85 HTR6 (0.43) GAAPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL31515627 0.84 KMT2A (0.49) MEN1ESR1KMT2AESR2GAA
SCHEMBL9803 0.84 KMT2A (0.49) MEN1ESR1KMT2AESR2GAA
Nitrobenzene SCHEMBL27551489 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3196817 0.83 KMT2A (0.42) MEN1ESR1KMT2AESR2GAA
SCHEMBL8019502 0.82 KMT2A (0.47) MEN1ESR1KMT2AESR2GAA

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 1341 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP claimed
CN-116375975-A Thickener for assisting ultraviolet curing resin in thickening and preparation method thereof 开普瑞环保科技有限公司 2023-07-04 CN claimed
CN-107954888-B Synthetic method of cooling agent N,2, 3-trimethyl-2-isopropyl butanamide 昆山亚香香料股份有限公司 2022-03-11 CN claimed
CN-213943114-U Catalytic reaction equipment for o-methyl p-toluenesulfonate 南通沃兰化工有限公司 2021-08-13 CN claimed
CN-111793193-A Solvent-free type 180-DEG C-resistant ultralow-viscosity epoxy resin matrix and preparation method thereof 黑龙江省科学院石油化学研究院 2020-10-20 CN claimed
CN-111793191-A Water-based non-ionic polyurea curing agent and preparation method and application thereof 深圳飞扬兴业科技有限公司 2020-10-20 CN claimed
EP-1887020-B1 Polyurethane resins and method for their production PERFORMANCE CHEMICALS HANDELS GMBH (DE) 2019-11-06 EP claimed
US-10351562-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-B]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate and its purification for use as pharmaceutically active compound ADVERIO PHARMA GMBH (DE) 2019-07-16 US claimed
CN-106273895-B Security door stamping resistance imitation wood line film coated plate 苏州扬子江新型材料股份有限公司 2019-04-19 CN claimed
US-20180282329-A1 PROCESS FOR PREPARING METHYL {4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND ADVERIO PHARMA GMBH (DE) 2018-10-04 US claimed
CN-1385919-A Electrolyte for lithium secondary battery and lithium secondary battery containing the same SAMSUNG SDI CO LTD (KR) 2002-12-18 CN claimed
US-20020107318-A1 Resin Composition NICHIAS CORPORATION (JP) 2002-08-08 US claimed
US-6291577-B1 ADMIXING WITH POLYISOCYANATE A MOISTURE SCAVENGING COMPOUND SUCH AS 2,6-DITERTIARYBUTYL HYDROXYTOLUENE AND 2-TERTIARYBUTYL HYDROXYTOLUENE AND ALKYL ESTER TOLUENESULFONIC ACID AND SOLVENT RHODIA INC. 2001-09-18 US claimed
EP-1029893-A2 Resin composition NICHIAS CORPORATION (JP) 2000-08-23 EP claimed
US-5286787-A Adding reactive polysiloxane, weatherproofing HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-02-15 US claimed
US-5225547-A Using an alkylation reagent and disubstituted formamide or acid amide as promoters SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-07-06 US claimed
EP-0216505-B1 POLYIMIDES, PREPARATION OF POLYIMIDES AND BLENDS OF POLYIMIDES ROHM AND HAAS COMPANY (US) 1993-02-24 EP claimed
US-4882095-A Preparation of alkoxy(iso)violanthrenediones BASF AKTIENGESELLSCHAFT (DE) 1989-11-21 US claimed
EP-0216505-A2 Polyimides, preparation of polyimides and blends of polyimides ROHM AND HAAS COMPANY (US) 1987-04-01 EP claimed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 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 (2 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-20180282329-A1 PROCESS FOR PREPARING METHYL {4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND TPMT, AMD1, DPYD MEN1 545/4885ESR1 4776/4885KMT2A 534/4885
US-10351562-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-B]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate and its purification for use as pharmaceutically active compound TPMT, AMD1, DPYD MEN1 473/4885ESR1 4720/4885KMT2A 603/4885

“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.