SCHEMBL23728

SCHEMBL23728

Cc1ccc(S(=O)(=O)Oc2[c]cccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
VDR P11473 1/20 0.44
GAA P10253 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
SCHEMBL4175711 0.86 TDP1 (0.46) KMT2AALDH1A1SMN1; SMN2MAPTTUBB4A
SCHEMBL14742835 0.77 MEN1 (0.46) LMNAGAAMEN1KMT2AESR1
SCHEMBL2207641 0.75 GAA (0.46) KEAP1NFE2L2LMNAMAPK1VDR
SCHEMBL6935683 0.75 KMT2A (0.51) KEAP1NFE2L2LMNAMAPK1VDR
SCHEMBL23130 0.74 CYP1A2 (0.31) KEAP1CYP1A2
SCHEMBL64533 0.74 KMT2A (0.62) KEAP1NFE2L2LMNAMAPK1VDR
SCHEMBL6666596 0.73 ALDH1A1 (0.39) KEAP1NFE2L2LMNAMAPK1GAA
SCHEMBL346667 0.73 HTT (0.59) KEAP1NFE2L2LMNAMAPK1VDR
SCHEMBL18263184 0.72 ALDH1A1 (0.51) KEAP1NFE2L2LMNAMAPK1VDR
SCHEMBL8055604 0.72 MEN1 (0.65) KEAP1NFE2L2LMNAMAPK1VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
CN-112174861-B Method and compound for preparing alpha-aryl nitrile 浙江师范大学 2022-12-27 CN disclosed
EP-4067340-A1 DEVELOPER AND THERMOSENSITIVE RECORDING MATERIAL Mitsubishi Chemical Corporation (JP) 2022-10-05 EP disclosed
CN-114761379-A Color-developing agent and heat-sensitive recording material 三菱化学株式会社 2022-07-15 CN disclosed
CN-112174861-A Method and compound for preparing alpha-aryl nitrile 浙江师范大学 2021-01-05 CN disclosed
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP disclosed
EP-2609094-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-05-30 EP disclosed
US-9930890-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-04-03 US disclosed
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-11 US disclosed
EP-3241829-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2017-11-08 EP disclosed
EP-2609094-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-07-03 EP disclosed
WO-2013032035-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-07 WO disclosed
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
WO-2012025557-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1140515-B1 HEAT SENSITIVE RECORDING MATERIAL CIBA SC HOLDING AG (CH) 2004-09-15 EP disclosed
US-6624117-B1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed
EP-0302792-A2 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI (FR) 1989-02-08 EP disclosed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 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 (3 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-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 KEAP1 1460/4885NFE2L2 1013/4885LMNA 2746/4885
US-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 KEAP1 76/4885NFE2L2 155/4885LMNA 2204/4885
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KEAP1 1460/4885NFE2L2 1013/4885LMNA 2746/4885

“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.