SCHEMBL2020687

SCHEMBL2020687

CC(c1ccccc1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
GMNN O75496 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SRC P12931 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
KEAP1 Q14145 1/20 0.41
TRPA1 O75762 2/20 0.40
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 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
SCHEMBL11846946 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL4450989 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL369243 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL25518782 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL6725173 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL18545315 0.81 TAAR1 (0.42) ALDH1A1KDM4ELMNATAAR1TRPA1
SCHEMBL1792962 0.80 PTGES2 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL3083627 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL18028833 0.80 PTGES2 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL16399485 0.80 LMNA (0.41) ALDH1A1KDM4ELMNAGMNNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
EP-3838898-B1 ISOINDOLIN-1-ONE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS AN EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-06-07 EP disclosed
EP-4108663-A1 SUBSTITUTED ARYL COMPOUND Simcere Pharmaceutical Co., Ltd. (CN) 2022-12-28 EP disclosed
CN-110483344-B Cycloalkyl-containing beta-hydroxy sulfone compound and synthesis method thereof 辽宁石油化工大学 2021-06-18 CN disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 US disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
WO-2011079091-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR THERAPEUTICAL USES CELGENE CORPORATION (US) 2011-06-30 WO disclosed
WO-2011079091-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR THERAPEUTICAL USES CELGENE CORPORATION (US) 2011-06-30 WO disclosed
WO-2010053182-A1 KYNURENINE PRODUCTION INHIBITOR 協和発酵キリン株式会社 (JP) 2010-05-14 WO disclosed
US-7632852-B2 (1,5-diphenyl-1H-pyrazol-3-yl)oxadiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-12-15 US disclosed
US-20080039510-A1 (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-02-14 US disclosed
US-20080004443-A1 Sulfonated polyaryletherketone-block-polyethersulfone copolymers GENERAL ELECTRIC COMPANY 2008-01-03 US disclosed
EP-0086678-A1 Process for the preparation of 2-acyl-1,3,4,6,7,11b-2H-hexahydro-4-pyrazino(2,1-a)isoquinolinones and intermediates ELF SANOFI (FR) 1983-08-24 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 (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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885KDM4E 528/4885LMNA 4785/4885
US-20080039510-A1 (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS DHFR, DPYD, THPO ALDH1A1 23/4885KDM4E 1047/4885LMNA 3420/4885
US-20080004443-A1 Sulfonated polyaryletherketone-block-polyethersulfone copolymers ABCB7, AKR1B10, RER1 ALDH1A1 2050/4885KDM4E 4420/4885LMNA 2259/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 ALDH1A1 1689/4885KDM4E 755/4885LMNA 4183/4885

“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.