SCHEMBL2555902

SCHEMBL2555902

CC(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.54
PPARA Q07869 7/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TBXAS1 P24557 2/20 0.51
TSHR P16473 2/20 0.47
ACACB O00763 1/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL4666674 1.00 PPARG (0.54) PPARGPPARASLC6A2SLC6A3TBXAS1
SCHEMBL4666677 1.00 PPARG (0.54) PPARGPPARASLC6A2SLC6A3TBXAS1
SCHEMBL11237591 0.89 TBXAS1 (0.59) TBXAS1TSHRPTGS1PTGS2LMNA
SCHEMBL27488752 0.85 PPARG (0.49) PPARGPPARASLC6A2SLC6A3TSHR
SCHEMBL14258111 0.84 TBXAS1 (0.51) PPARGTBXAS1TSHRPTGS1PTGS2
SCHEMBL7933439 0.84 TBXAS1 (0.51) PPARGTBXAS1TSHRPTGS1PTGS2
SCHEMBL13235901 0.84 SLC6A2 (0.53) PPARGPPARASLC6A2SLC6A3ACACB
SCHEMBL11145872 0.84 SLC6A2 (0.53) PPARGPPARASLC6A2SLC6A3ACACB
SCHEMBL11242882 0.84 SLC6A2 (0.53) PPARGPPARASLC6A2SLC6A3ACACB
SCHEMBL27473580 0.84 PTGS1 (0.56) TBXAS1TSHRACACBPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114487184-B Method for determining 2 beta-methyl ester-3 beta- (4-chlorophenyl) tropane and related substances thereof 江苏省原子医学研究所 2023-09-22 CN claimed
CN-114487184-A Method for measuring 2 beta-carbomethoxy-3 beta- (4-chlorphenyl) tropane and related substances thereof 江苏省原子医学研究所 2022-05-13 CN claimed
US-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US claimed
CN-117295825-A Biomarkers for the treatment of cancer using MDM2 antagonists 大冢制药株式会社 2023-12-26 CN disclosed
CN-114487184-B Method for determining 2 beta-methyl ester-3 beta- (4-chlorophenyl) tropane and related substances thereof 江苏省原子医学研究所 2023-09-22 CN disclosed
CN-116194088-A Biomarkers for the treatment of cancer using MDM2 antagonists 大冢制药株式会社 2023-05-30 CN disclosed
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 US disclosed
WO-2023287964-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
CN-115066614-A Biomarkers for treating cancer using MDM2 antagonists 大冢制药株式会社 2022-09-16 CN disclosed
CN-114487184-A Method for measuring 2 beta-carbomethoxy-3 beta- (4-chlorphenyl) tropane and related substances thereof 江苏省原子医学研究所 2022-05-13 CN disclosed
CN-114487184-A Method for measuring 2 beta-carbomethoxy-3 beta- (4-chlorphenyl) tropane and related substances thereof 江苏省原子医学研究所 2022-05-13 CN disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004058735-A2 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-07-15 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2004004714-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 WO disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
US-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 US disclosed
US-5935953-A TROPANE DERIVATIVES AS INHIBITORS TO REDUCE THE FEEDING OF AND DELAYING THE MATURATION OF THE INSECTS AND PESTS; INHIBITORS OF A PHENYLETHANOLAMINE, E.G.OCTOPAMINE, REUPTAKE TRANSPORTER; PESTICIDES; PESTISTATS; INSECTICIDES RESEARCH TRIANGLE INSTITUTE (US) 1999-08-10 US disclosed
US-5380848-A 8-azabicyclo(3.2.1)octanes RESEARCH TRIANGLE INSTITUTE (US) 1995-01-10 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 (2 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-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARG 297/4885PPARA 780/4885SLC6A2 1371/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 PPARG 3658/4885PPARA 4350/4885SLC6A2 4809/4885

“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.