SCHEMBL3661459

SCHEMBL3661459

Cc1ccc(S(=O)(=O)OC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.53
TAS2R14 Q9NYV8 5/20 0.48
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
ENPP2 Q13822 2/20 0.43
USP2 O75604 1/20 0.43
NR1I2 O75469 1/20 0.42
RORC P51449 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL26114075 1.00 CYP2D6 (0.58) CYP2D6ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL21987714 0.91 CYP2D6 (0.52) CYP2D6ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL26350891 0.88 CYP2D6 (0.58) CYP2D6ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL10376015 0.87 CYP2D6 (0.67) CYP2D6ALDH1A1KMT2ATSHRCYP1A2
SCHEMBL657896 0.87 CYP2D6 (0.67) CYP2D6ALDH1A1KMT2ATSHRCYP1A2
SCHEMBL989553 0.86 CYP2D6 (0.52) CYP2D6ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL22553706 0.86 CYP2D6 (0.52) CYP2D6ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL17783993 0.85 ALDH1A1 (0.55) CYP2D6ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL27214135 0.85 CYP2D6 (0.56) CYP2D6ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL12173630 0.85 CYP2D6 (0.56) CYP2D6ALDH1A1KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964623-A Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-05-03 CN disclosed
CN-115244053-B Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-01-30 CN disclosed
WO-2023180388-A1 2,4-DIOXOTETRAHYDROPYRIMIDINYL DERIVATIVES AS DEGRONS IN PROTACS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-09-28 WO disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
WO-2023069547-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023044046-A1 BCL-XL DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-23 WO disclosed
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 WO disclosed
CN-115710274-A IRAK4 degradation agent, preparation method and application thereof 上海领泰生物医药科技有限公司 2023-02-24 CN disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
EP-3623372-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS Forma Therapeutics, Inc. (US) 2020-03-18 EP disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
CN-106459002-A Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2017-02-22 CN disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 EP disclosed
EP-2976340-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146490-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 WO 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 (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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL CYP2D6 334/4885ALDH1A1 1615/4885KMT2A 3153/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 CYP2D6 28/4885ALDH1A1 1584/4885KMT2A 3232/4885
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 CYP2D6 1275/4885ALDH1A1 516/4885KMT2A 4226/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CYP2D6 632/4885ALDH1A1 1154/4885KMT2A 3361/4885

“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.