SCHEMBL343050

SCHEMBL343050

C[CH]S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.70
GAA P10253 3/20 0.56
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
S100A4 P26447 1/20 0.53
MTOR P42345 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL2578236 0.82 TLR9 (1.00) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL2578234 0.82 TLR9 (1.00) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL13389949 0.81 TLR9 (0.78) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL10600352 0.81 TLR9 (0.78) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL10600354 0.81 TLR9 (0.78) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL6585727 0.80 TLR9 (0.70) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL10825882 0.78 TLR9 (0.82) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL15108575 0.78 TLR9 (0.67) TLR9GAAALDH1A1MAPTTDP1
SCHEMBL758697 0.78 CA2 (0.50) TLR9GAACA1CA2CA12
SCHEMBL9752512 0.78 TSHR (0.54) TLR9GAAALDH1A1TDP1CYP3A4

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 1203 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805168-B Pyrrolinones and synthesis method thereof 百顺药业有限公司 2024-01-09 CN claimed
CN-110835310-B Intermediate, preparation method and application 南京中硼联康医疗科技有限公司 2022-09-20 CN claimed
CN-114805168-A Pyrrolinone compound and synthetic method thereof 百顺药业有限公司 2022-07-29 CN claimed
CN-110835352-B Preparation method18Process for F-BPA 南京中硼联康医疗科技有限公司 2022-05-24 CN claimed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US claimed
US-10117864-B2 Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US claimed
US-20180036300-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-08 US claimed
EP-3271334-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 EP claimed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US claimed
WO-2017153235-A1 SUBSTITUTED N-CYCLO-3-ARYL-1-NAPHTHAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 WO claimed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US claimed
EP-1455900-A1 METHODS OF TREATING BACTERIAL INFECTIONS IN DOGS AND CATS Pfizer Products Inc. (US) 2004-09-15 EP claimed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP claimed
US-20030149013-A1 Methods of treating bacterial infections in dogs and cats PFIZER PRODUCTS INC. 2003-08-07 US claimed
WO-2003053522-A1 METHODS OF TREATING BACTERIAL INFECTIONS IN DOGS AND CATS PFIZER PRODUCTS INC. (US) 2003-07-03 WO claimed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP claimed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
US-4477662-A 2-Substituted thio carbapenem derivatives BEECHAM GROUP P.L.C. (GB) 1984-10-16 US claimed
US-3953437-A Process of preparing cephalosporanic acid ester derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 US claimed
US-3935198-A BY HEATING THE PENICILLIN SULFOXIDE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-01-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 TLR9 2930/4885GAA 4130/4885ALDH1A1 343/4885
US-20030149013-A1 Methods of treating bacterial infections in dogs and cats CAT, PIGO, IL1B TLR9 732/4885GAA 104/4885ALDH1A1 272/4885
US-10117864-B2 Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof AADAC, BRD4, GOT2 TLR9 613/4885GAA 861/4885ALDH1A1 1711/4885
US-20180036300-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF AADAC, BRD4, GOT2 TLR9 613/4885GAA 861/4885ALDH1A1 1711/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 TLR9 386/4885GAA 1797/4885ALDH1A1 1582/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 TLR9 386/4885GAA 1797/4885ALDH1A1 1582/4885

“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.