SCHEMBL6765639

SCHEMBL6765639

Cc1ccc(C[S+](C)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AGXT P21549 2/20 0.39
CHRM2 P08172 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL12643914 1.00 IDO1 (0.44) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL18780575 1.00 IDO1 (0.44) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL4401171 0.82 IDO1 (0.46) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL14924458 0.81 CYP1A2 (0.48) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL14899900 0.78 GFER (0.46) ACHETDP1MAPTALDH1A1MEN1
SCHEMBL14080936 0.78 CYP3A4 (0.38) IDO1CYP1A2
SCHEMBL19649630 0.78 IDO1 (0.42) IDO1CYP2A6TAAR1AGXTALDH1A1
SCHEMBL775752 0.78 IDO1 (0.42) IDO1TAAR1ACHEAGXTLMNA
SCHEMBL14204493 0.78 TAAR1 (0.40) IDO1CYP1A2CYP2A6TAAR1ALDH1A1
SCHEMBL40995 0.77 TP53 (0.43) IDO1TAAR1TDP1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-109311907-B Preparation method of high-purity prasugrel 吉瑞工厂 2022-09-13 CN disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-9631181-B2 Synthesis of prazole compounds CODEXIS, INC. (US) 2017-04-25 US disclosed
US-9631181-B2 Synthesis of prazole compounds CODEXIS, INC. (US) 2017-04-25 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
US-20160319252-A1 SYNTHESIS OF PRAZOLE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-11-03 US disclosed
US-6746784-B2 SUBSTITUTED OR UNSUBSTITUTED CYCLOHEXYLIDENEMETHINE GROUP COMPOUNDS WITH IMPROVED HOLE INJECTION PROPERTIES SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-06-08 US disclosed
US-20020058156-A1 Substituted or unsubstituted cyclohexylidenemethine group compounds with improved hole injection properties SAMSUNG DISPLAY CO., LTD. (KR) 2002-05-16 US disclosed
EP-0650487-A1 NOVEL DIAZABICYCLOALKENES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-05-03 EP disclosed
WO-1994002479-A1 NOVEL DIAZABICYCLOALKENES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-02-03 WO disclosed
US-4499149-A ADHESION; HEAT RESISTANCE; PROTECTIVE COATINGS; SEMICONDUCTORS; POLYIMIDES M&T CHEMICALS INC. (US) 1985-02-12 US disclosed
US-4480009-A POLYIMIDE, POLYAMIDEIMIDE, OR POLY-HALF-AMIDE M&T CHEMICALS INC. (US) 1984-10-30 US disclosed
US-4395527-A POLYIMIDES FROM AMINOPOLYSILOXANES M & T CHEMICALS INC. (US) 1983-07-26 US disclosed
EP-0054426-A2 Improvements in or relating to siloxanes M & T CHEMICALS, INC. (US) 1982-06-23 EP disclosed
US-4125530-A FROM 1,1-DIHALO-3,3,3-TRIFLUOROACETONE, BASE, AMMONIA AND A CARBOXALDEHYDE MERCK & CO., INC. (US) 1978-11-14 US disclosed
US-4032522-A ANTI-GOUT, ANTI-HYPERURICEMIC MERCK & CO., INC. (US) 1977-06-28 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-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 IDO1 258/4885CYP1A2 53/4885CYP2A6 122/4885

“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.