SCHEMBL3738485

SCHEMBL3738485

COS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
AKR1B1 P15121 1/20 0.42
CCR2 P41597 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
BRD4 O60885 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL16467751 0.86 PKM (0.45) TSHRKDM4ESMN1; SMN2HTTCES2
SCHEMBL13290771 0.81 AKR1B1 (0.44) AKR1B1CCR2ALDH1A1TSHRKDM4E
SCHEMBL15352707 0.81 NMT1 (0.46) AKR1B1ALDH1A1TSHRSMN1; SMN2
SCHEMBL15352923 0.81 KMT2A (0.45) ALDH1A1TSHRKDM4ESMN1; SMN2HTT
SCHEMBL15353058 0.81 KDM4E (0.42) TSHRKDM4EMAPTSMN1; SMN2HTT
SCHEMBL16479341 0.81 KAT6A (0.37) KCNH2ALDH1A1
SCHEMBL13290703 0.81 CCR2 (0.50) CCR2ALDH1A1POLBKDM4E
SCHEMBL13923560 0.81 AKR1B1 (0.41) KCNH2AKR1B1CCR2ALDH1A1TSHR
SCHEMBL16467662 0.80 AKR1B1 (0.42) KCNH2AKR1B1CCR2ALDH1A1TSHR
SCHEMBL27920188 0.80 AKR1B1 (0.42) KCNH2AKR1B1CCR2ALDH1A1TSHR

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-110635167-B Nonaqueous electrolyte solution, battery containing same, and electric vehicle 比亚迪股份有限公司 2021-04-20 CN claimed
CN-110635167-A Nonaqueous electrolyte solution, battery containing same, and electric vehicle 比亚迪股份有限公司 2019-12-31 CN claimed
CN-110635167-B Nonaqueous electrolyte solution, battery containing same, and electric vehicle 比亚迪股份有限公司 2021-04-20 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
CN-110635167-A Nonaqueous electrolyte solution, battery containing same, and electric vehicle 比亚迪股份有限公司 2019-12-31 CN disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-8512897-B2 Phenyl sulfonate compound, nonaqueous electrolyte solution using the same, and lithium battery UBE INDUSTRIES, LTD. (JP) 2013-08-20 US disclosed
US-20100291437-A1 PHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION USING THE SAME, AND LITHIUM BATTERY UBE INDUSTRIES, LTD. (JP) 2010-11-18 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 (2 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-20100291437-A1 PHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION USING THE SAME, AND LITHIUM BATTERY SLC9B2, SLC13A5, KCNN2 KCNH2 39/4885AKR1B1 1220/4885CCR2 3095/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 KCNH2 105/4885AKR1B1 409/4885CCR2 302/4885

“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.