SCHEMBL5833747

SCHEMBL5833747

CC(S)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PGR P06401 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 4/20 0.50
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL1397470 0.80 KMT2A (0.58) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL28283115 0.80 TDP1 (0.56) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL13039632 0.80 LMNA (0.56) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL163939 0.80 TDP1 (0.56) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL8445181 0.80 CES1 (0.60) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL2417683 0.80 TDP1 (0.56) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL28808147 0.79 ALDH1A1 (0.52) TDP1ADRA2BLMNACES2CES1
SCHEMBL27003 0.78 LMNA (0.58) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL15834920 0.78 LMNA (0.55) TDP1L3MBTL1PGRADRA2AADRA2B
SCHEMBL12251084 0.78 LMNA (0.55) TDP1L3MBTL1PGRADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049459-B2 1-[(4-methyl thio)phenyl]-2-(phenyl acetoxy)-1-ethanone and a process for preparing the same SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-05-23 US claimed
US-20040242680-A1 1-[(4-methyl thio)phenyl]-2-(phenyl acetoxy)-1-ethanone and a process for preparing the same SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2004-12-02 US claimed
WO-2003030812-A2 1-[(4-METHYL THIO)PHENYL]-2-(PHENYL ACETOXY)-1-ETHANONE AND A PROCESS FOR PREPARING THE SAME SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2003-04-17 WO claimed
CN-118420560-A Synthesis method of 2- (trifluoromethyl) -4, 5-disubstituted thiazole compound 西北师范大学 2024-08-02 CN disclosed
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
US-20210009551-A1 COMPOUNDS AND METHODS FOR TREATING FIBROSIS OR CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 US disclosed
WO-2020004408-A1 COMPOSITION, CURED PRODUCT, PATTERN-FORMING METHOD, COMPOUND, POLYMER, AND METHOD FOR PRODUCING COMPOUND 東京応化工業株式会社 2020-01-02 WO disclosed
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-14 US disclosed
CN-1140267-C Compositions for a once a day treatment of cyclooxygenase-2 mediated diseases 2004-03-03 CN disclosed
CN-1225010-A Compositions for a once a day treatment of cyclooxygenase-2 mediated diseases MERCK & CO INC (US) 1999-08-04 CN disclosed
EP-0019450-B1 PYRIMIDINE DERIVATIVES AND THEIR PRODUCTION AND AGRICULTURAL USES Takeda Chemical Industries, Ltd. (JP) 1983-02-23 EP disclosed
EP-0019450-A1 Pyrimidine derivatives and their production and agricultural uses Takeda Chemical Industries, Ltd. (JP) 1980-11-26 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 (4 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-20040242680-A1 1-[(4-methyl thio)phenyl]-2-(phenyl acetoxy)-1-ethanone and a process for preparing the same PTGES2, PTGS2, CYP2J2 TDP1 2396/4885L3MBTL1 4572/4885PGR 2152/4885
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME GAP43, NCDN, NLN TDP1 2879/4885L3MBTL1 502/4885PGR 882/4885
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same GAP43, NCDN, NLN TDP1 2879/4885L3MBTL1 502/4885PGR 882/4885
US-20210009551-A1 COMPOUNDS AND METHODS FOR TREATING FIBROSIS OR CANCER MMP1, MMP8, SERPINB1 TDP1 3617/4885L3MBTL1 1021/4885PGR 2051/4885

“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.