SCHEMBL2643972

SCHEMBL2643972

CCOC(=O)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
SRD5A2 P31213 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL17466071 0.88 MCL1 (0.44) TSHRSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL17420571 0.88 HPGD (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL30628190 0.88 HPGD (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL10347749 0.86 TSHR (0.45) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL23380346 0.85 GPR35 (0.43) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL30628232 0.85 CES2 (0.42) TSHRSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL17420534 0.85 CES2 (0.42) TSHRSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL16068855 0.84 HSD17B2 (0.50) TSHRALDH1A1MAPTMAPK1LMNA
SCHEMBL30628203 0.84 TAS1R3 (0.52) TSHRSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL11234163 0.84 RAB9A (0.44) TSHRSMN1; SMN2HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
US-7902248-B2 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus BERTHEL STEVEN JOSEPH 2008-06-19 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 (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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TSHR 952/4885SMN1; SMN2 3680/4885HPGD 1324/4885
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus GCK, PC, PCK2 TSHR 2310/4885SMN1; SMN2 3315/4885HPGD 758/4885

“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.