SCHEMBL213645

SCHEMBL213645

C[C@H](O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
UGT2B7 P16662 1/20 0.47
ACHE P22303 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
MTOR P42345 1/20 0.42
AOC3 Q16853 1/20 0.42

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
SCHEMBL14088061 1.00 CES2 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL508016 1.00 CES2 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL1318224 1.00 CES2 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL9667227 0.84 CES2 (0.50) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL2812852 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL9331659 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL9331663 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL9334664 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL15050759 0.83 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL15050756 0.83 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868344-A OPTICALLY PURE HALOALCOHOLS ALDRICH-BORANES, INC. (US) 1989-09-19 US claimed
WO-2025060911-A1 SUBSTITUTED PYRIDOTRIAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都奥睿药业有限公司 2025-03-27 WO disclosed
CN-119118931-A Barbituric acid derivative and preparation method thereof 武汉绿合医药科技有限公司 2024-12-13 CN disclosed
CN-118878535-A Substituted pyridotriazole compound, preparation method and application thereof 成都奥睿药业有限公司 2024-11-01 CN disclosed
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
CN-110002961-B Method for racemization-free synthesis of chiral alcohol 三峡大学 2022-05-03 CN disclosed
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2021-06-10 US disclosed
EP-3551626-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2019-10-16 EP disclosed
WO-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 WO disclosed
US-8088780-B2 5,7-disubstituted thiazolo[4,5-D]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2012-01-03 US disclosed
US-7947693-B2 2R)-2-[(2-amino-5-{[(1S)-1-(2-fluorophenyl)ethyl]thio}[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pentan-1-ol; neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases su COPD, asthma ASTRAZENECA AB (SE) 2011-05-24 US disclosed
US-20110092519-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES AS CHEMOKINE INHIBITORS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
CN-101193897-B Novel 5-substituted 7-amino-[1,3]thiazolo[4,5-d]pyrimidine derivatives ASTRAZENECA AB 2010-12-01 CN disclosed
CN-101193898-B Novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives ASTRAZENECA AB 2010-12-01 CN disclosed
EP-1869056-B1 NOVEL 5-SUBSTITUTED 7-AMINO-Ý1,3¨THIAZOLOÝ4,5-D¨PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-11-10 EP disclosed
US-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 ASTRAZENECA AB (SE) 2009-05-14 US disclosed
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 ACTURUM REAL ESTATE AB (SE) 2008-09-04 US disclosed
CN-101193898-A Novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives ASTRAZENECA AB (SE) 2008-06-04 CN disclosed
CN-101193897-A Novel 5-substituted 7-amino-[1,3]thiazolo[4,5-d]pyrimidine derivatives ASTRAZENECA AB (SE) 2008-06-04 CN 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 (5 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-20110092519-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES AS CHEMOKINE INHIBITORS CX3CR1, CCR2, CXCR3 CES2 4021/4885CES1 2493/4885HDAC4 4544/4885
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 CX3CR1, CCR2, CXCR3 CES2 4565/4885CES1 3121/4885HDAC4 4527/4885
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents KCND2, SCN1A, CACNA1D CES2 446/4885CES1 778/4885HDAC4 711/4885
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B CES2 826/4885CES1 1209/4885HDAC4 1223/4885
US-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 CX3CR1, CCR2, CCR5 CES2 3696/4885CES1 1983/4885HDAC4 3879/4885

“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.