SCHEMBL819682

SCHEMBL819682

CC(C)N(C(C)C)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.31

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
SCHEMBL24571654 0.81
SCHEMBL42537 0.74 CA1 (0.38) CA1
SCHEMBL10312292 0.72
SCHEMBL166313 0.70 ALDH1A1 (0.50) ALDH1A1CA1
SCHEMBL10145234 0.69 KDM4E (0.36) KDM4ECYP3A4ALDH1A1CA1
SCHEMBL19413221 0.67
SCHEMBL10538268 0.67 SMN1; SMN2 (0.31)
SCHEMBL20087415 0.67 CA5A (0.33)
SCHEMBL42536 0.67
SCHEMBL4898505 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
US-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 US disclosed
US-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 US disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 US disclosed
US-9428473-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2016-08-30 US disclosed
US-9359329-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2016-06-07 US disclosed
US-9359329-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2016-06-07 US disclosed
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US disclosed
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US disclosed
US-20090053455-A1 OPTICAL RECORDING MEDIUM, METAL COMPLEX COMPOUND AND ORGANIC DYE COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD (JP) 2009-02-26 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20060058315-A1 2-Oxo-ethanesulfonamide derivates ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1562574-A1 2-OXO-ETHANESULFONAMIDE DERIVATES Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 WO disclosed
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2004041264-A1 2-OXO-ETHANESULFONAMIDE DERIVATES ASTRAZENECA AB (SE) 2004-05-21 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 (9 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-20090053455-A1 OPTICAL RECORDING MEDIUM, METAL COMPLEX COMPOUND AND ORGANIC DYE COMPOUND KCNJ2, KCNN2, KCNN3 KDM4E 1932/4885CYP3A4 394/4885ALDH1A1 1986/4885
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 KDM4E 3818/4885CYP3A4 744/4885ALDH1A1 2557/4885
US-20060058315-A1 2-Oxo-ethanesulfonamide derivates HSD11B1, HSD3B1, HSD11B2 KDM4E 1918/4885CYP3A4 87/4885ALDH1A1 65/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KDM4E 3761/4885CYP3A4 3088/4885ALDH1A1 869/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 KDM4E 94/4885CYP3A4 24/4885ALDH1A1 418/4885
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF CDK2, CDK5, CDK5R1 KDM4E 1420/4885CYP3A4 3816/4885ALDH1A1 3797/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 3396/4885CYP3A4 1260/4885ALDH1A1 2356/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF KDM4E 1977/4885CYP3A4 2203/4885ALDH1A1 4083/4885
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA KDM4E 3202/4885CYP3A4 105/4885ALDH1A1 1698/4885

“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.