SCHEMBL1743472

SCHEMBL1743472

CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ALDH1A1 P00352 6/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
STS P08842 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL8202859 0.99 ADORA1 (0.37) ADORA1MAPTKDM4EALOX15MEN1
SCHEMBL17318442 0.99 ADORA1 (0.37) ADORA1MAPTKDM4EALOX15MEN1
SCHEMBL12592486 0.99 ADORA1 (0.37) ADORA1MAPTKDM4EALOX15MEN1
SCHEMBL1957632 0.97 ADORA1 (0.38) ADORA1MAPTKDM4EALOX15MEN1
SCHEMBL18988666 0.85 MAPT (0.35) ADORA1MAPTKDM4EALOX15MEN1
SCHEMBL6492100 0.84 KDM4E (0.36) MAPTKDM4EALOX15MEN1KMT2A
SCHEMBL6492089 0.84 KDM4E (0.36) MAPTKDM4EALOX15MEN1KMT2A
SCHEMBL21332345 0.84 MAPT (0.37) ADORA1MAPTKDM4EALOX15MEN1
SCHEMBL4548472 0.84 SLC6A3 (0.39) MAPTALDH1A1HSD17B10
SCHEMBL1958265 0.82 SLC6A3 (0.41) MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217913-A2 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND HUA MEDICINE (SHANGHAI) LTD. (CN) 2024-07-04 US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2023061406-A1 PARP INHIBITOR CONTAINING FUSED TRI-CYCLIC STRUCTURE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 微境生物医药科技(上海)有限公司 2023-04-20 WO disclosed
CN-113135848-A Preparation method of mercaptoalkenol ester compound 深圳市华先医药科技有限公司 2021-07-20 CN disclosed
EP-3666758-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE AbbVie Inc. (US) 2020-06-17 EP disclosed
US-10407382-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2019-09-10 US disclosed
EP-3152188-B1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2019-02-13 EP disclosed
EP-3164396-B1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-01-16 EP disclosed
US-10100043-B2 Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-10-16 US disclosed
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 WO disclosed
EP-0718285-B1 Restricted 9-cis-retinoids AMERICAN CYANAMID CO (US) 2001-04-11 EP disclosed
EP-0997455-A1 Restricted 9-cis retenoids American Cyanamid Company (US) 2000-05-03 EP disclosed
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP 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 (7 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-10100043-B2 Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, MB, HBG2 ADORA1 589/4885MAPT 4741/4885KDM4E 1743/4885
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ADORA1 4667/4885MAPT 4105/4885KDM4E 3629/4885
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ADORA1 3277/4885MAPT 4181/4885KDM4E 1701/4885
US-20240217913-A2 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND ACR, ADCYAP1R1, GNPAT ADORA1 1546/4885MAPT 3852/4885KDM4E 4537/4885
US-10407382-B2 EP4 agonists as therapeutic compounds PTGER4, PTGER1, PTGER3 ADORA1 710/4885MAPT 4578/4885KDM4E 1756/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 ADORA1 27/4885MAPT 4050/4885KDM4E 3585/4885
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 ADORA1 224/4885MAPT 3734/4885KDM4E 313/4885

“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.