SCHEMBL2128507

SCHEMBL2128507

CCS(=O)(=O)Nc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.68
RECQL P46063 1/20 0.59
PSIP1 O75475 1/20 0.58
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 1/20 0.53
PARP14 Q460N5 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.50
BRD4 O60885 1/20 0.48
EPHX1 P07099 1/20 0.47
MCL1 Q07820 1/20 0.47
HTT P42858 1/20 0.47
NR3C1 P04150 1/20 0.47
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL10078555 0.82 KEAP1 (0.55) KEAP1RECQLKDM4EPARP14KMT2A
SCHEMBL29901800 0.82 KEAP1 (0.55) KEAP1RECQLKDM4EPARP14KMT2A
SCHEMBL12768022 0.82 PSIP1 (0.73) PSIP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2124660 0.81 KEAP1 (1.00) KEAP1RECQLALDH1A1HPGDKDM4E
SCHEMBL28028822 0.81 GLO1 (0.62) KEAP1RECQLALDH1A1HPGDKDM4E
SCHEMBL10808948 0.81 KEAP1 (0.57) KEAP1RECQLALDH1A1HPGDKDM4E
SCHEMBL4649512 0.80 TRPV1 (0.50) KDM4EKMT2AMEN1MAPT
SCHEMBL10780391 0.80 KEAP1 (0.71) KEAP1RECQLALDH1A1HPGDKDM4E
SCHEMBL6005274 0.80 KEAP1 (0.71) KEAP1RECQLALDH1A1HPGDKDM4E
SCHEMBL3860044 0.80 KEAP1 (0.56) KEAP1RECQLALDH1A1HPGDKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583276-A IRE1 alpha inhibitors and uses thereof 加利福尼亚大学董事会 2023-08-11 CN disclosed
CN-104969406-B Electrolyte solution for electrochemical device and electrochemical device 富士胶片和光纯药株式会社 2018-11-02 CN disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
CN-104969406-A Electrolyte solution for electrochemical device and electrochemical device WAKO PURE CHEM IND LTD 2015-10-07 CN disclosed
US-20120135904-A1 LUBRICANT COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
EP-2444474-A1 LUBRICANT COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 US 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 (1 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-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP KEAP1 196/4885RECQL 3722/4885PSIP1 230/4885

“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.