SCHEMBL9038358

SCHEMBL9038358

Cc1ccc(C(=O)OS)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 7/20 0.54
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
NTSR1 P30989 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SRD5A2 P31213 1/20 0.46

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
SCHEMBL27263971 0.87 CA1 (0.44) TDP1ALDH1A1LMNAMAPTMEN1
SCHEMBL6654554 0.80 TDP1 (0.70) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL248492 0.80 TDP1 (0.70) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL64626 0.80 TDP1 (0.70) TDP1ALDH1A1CES2CES1LMNA
4-Methylbenzoic Acid Methyl Ester SCHEMBL137891 0.78 TDP1 (1.00) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL268305 0.78 TDP1 (0.67) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL31424008 0.78 TSHR (0.60) ALDH1A1CES2CES1SMN1; SMN2KMT2A
4-Methylbenzoic Acid Methyl Ester SCHEMBL10539663 0.78 TDP1 (1.00) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL10634048 0.78 TDP1 (0.67) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL7634917 0.78 TDP1 (0.67) TDP1ALDH1A1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946023-A Preparation method of trans-4, 5-disubstituted oxazolidone compound 南京工业大学 2024-04-30 CN disclosed
US-8318667-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
WO-2012110860-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-08-23 WO disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20110137032-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2011-06-09 US disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 US disclosed
EP-2311822-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2011-04-20 EP disclosed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 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 (7 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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles PTGES, PTGS1, PTGES2 TDP1 1125/4885ALDH1A1 95/4885CES2 2677/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES TDP1 1043/4885ALDH1A1 78/4885CES2 518/4885
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 TDP1 1492/4885ALDH1A1 158/4885CES2 3063/4885
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD TDP1 1059/4885ALDH1A1 467/4885CES2 4094/4885
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 TDP1 4050/4885ALDH1A1 1631/4885CES2 907/4885
US-20110137032-A1 GPR119 AGONIST GPR119, GPR27, GPR52 TDP1 4752/4885ALDH1A1 3105/4885CES2 3662/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 TDP1 1880/4885ALDH1A1 165/4885CES2 3034/4885

“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.