SCHEMBL2389975

SCHEMBL2389975

CCC(=S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
ESR1 P03372 2/20 0.42
CYP19A1 P11511 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL8995230 0.86 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL5664614 0.80 CES2 (0.52) ATMCES2CES1ALDH1A1MAPT
SCHEMBL730326 0.78 POLB (0.48) CES2CES1ALDH1A1MAPTHSP90AA1
SCHEMBL8995236 0.77 ALDH1A1 (0.44) ATMCES2CES1ALDH1A1MAPT
SCHEMBL11425219 0.77 PTGS2 (0.57) CES2CES1ALDH1A1MAPTGAA
Thiobenzoic Acid SCHEMBL28362258 0.76 ALDH1A1 (0.48) ATMCES2CES1ALDH1A1MAPT
SCHEMBL3066458 0.76 POLB (0.46) CES2CES1ALDH1A1MAPTHSP90AA1
SCHEMBL10353001 0.75 SMN1; SMN2 (0.31) ALDH1A1MAPTSMN1; SMN2ESR1ESR2
SCHEMBL7841592 0.75 ALDH1A1 (0.47) ATMCES2CES1ALDH1A1MAPT
SCHEMBL5271264 0.75 HPGD (0.50) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6

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 34 patents — showing the first 20. 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
EP-0798294-B1 Process for preparing alpha-haloacetophenone derivative SUMITOMO SEIKA CHEMICALS (JP) 2000-06-14 EP claimed
US-5821388-A Process for preparing α-haloacetophenone derivative SUMITOMO SEIKA CHEMICAL CO., LTD. (JP) 1998-10-13 US claimed
EP-0798294-A2 Process for preparing haloacetophenone derivative SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-10-01 EP claimed
JP-9255653-A None JP disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 US disclosed
EP-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP disclosed
CN-111615507-A Compound, resin, composition, and pattern forming method 三菱瓦斯化学株式会社 2020-09-01 CN disclosed
WO-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 WO disclosed
US-9598713-B2 Method for constructing functional nucleic acid molecule, and nucleic acid combination to be used in said method JAPANESE SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-03-21 US disclosed
CN-1113241-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1995-12-13 CN disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed
EP-0418933-A1 Derivatives of alcadienes, their preparations and medicinal compositions containing them and intermediates RHONE-POULENC SANTE (FR) 1991-03-27 EP disclosed
US-4971979-A Antiinflammatory agents RHONE-POULENC SANTE (FR) 1990-11-20 US disclosed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 US disclosed
EP-0310484-A1 Derivatives of alkadienes, their preparations, medicinal compositions containing them, and intermediates RHONE-POULENC SANTE (FR) 1989-04-05 EP disclosed
US-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 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-20040242680-A1 1-[(4-methyl thio)phenyl]-2-(phenyl acetoxy)-1-ethanone and a process for preparing the same PTGES2, PTGS2, CYP2J2 ATM 4208/4885CES2 3837/4885CES1 2286/4885

“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.