SCHEMBL4140871

SCHEMBL4140871

CCOC(=O)C(Cl)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
HTR2B P41595 3/20 0.52
HTR2C P28335 2/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 3/20 0.50
ADRA2C P18825 2/20 0.50
SLC6A4 P31645 2/20 0.50
ADRA1A P35348 2/20 0.50
DRD3 P35462 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.50
OPRK1 P41145 1/20 0.50
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.49
NR1I2 O75469 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRA2B P18089 1/20 0.49

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
SCHEMBL31283854 0.88 HTR2A (0.54) HTR2AHTR2BHTR2CTHRBMAPT
SCHEMBL2218373 0.88 HTR2A (0.54) HTR2AHTR2BHTR2CTHRBMAPT
SCHEMBL30589450 0.86 HTR2A (0.55) HTR2AHTR2BHTR2CTHRBMAPT
SCHEMBL6714650 0.86 HTR2A (0.55) HTR2AHTR2BHTR2CTHRBMAPT
SCHEMBL11668591 0.84 PPARG (0.48) THRBMAPTCYP1A2CYP2C9SMN1; SMN2
SCHEMBL23125015 0.84 HTR2A (0.52) HTR2AHTR2BHTR2CTHRBMAPT
SCHEMBL20543990 0.84 HTR2A (0.60) HTR2AHTR2BHTR2CTHRBMAPT
SCHEMBL3981772 0.83 HTR2A (0.58) HTR2AHTR2BHTR2CMAPTADRA2C
SCHEMBL4436742 0.83 HTR2A (0.51) HTR2AHTR2BHTR2CTHRBMAPT
SCHEMBL16571756 0.82 HTR2A (0.50) HTR2AHTR2BHTR2CTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156644-A1 Use of thiazole derivatives and analogues in the treatment of cancer BETAGENON AB (SE) 2009-06-18 US disclosed
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids BETAGENON AB (SE) 2009-05-28 US disclosed
CN-101277692-A Use of thiazole derivatives and analogues in the treatment of cancer BETAGENON AB (SE) 2008-10-01 CN disclosed
CN-101237866-A Use of thiazole derivatives and analogues in the treatment of cancer BETAGENON AB (SE) 2008-08-06 CN disclosed
WO-2008065409-A2 COMBINATION FOR USE IN THE TREATMENT OF CANCER, COMPRISING TAMOXIFEN OR AN AROMATASE INHIBITOR BETAGENON AB (SE) 2008-06-05 WO disclosed
EP-1906955-A2 USE OF THIAZOLE DERIVATIVES AND ANALOGUES IN THE TREATMENT OF CANCER Betagenon AB (SE) 2008-04-09 EP disclosed
EP-1906956-A2 USE OF THIAZOLE DERIVATIVES AND ANALOGUES IN DISORDERS CAUSED BY FREE FATTY ACIDS Betagenon AB (SE) 2008-04-09 EP disclosed
WO-2007010281-A2 USE OF THIAZOLE DERIVATIVES AND ANALOGUES IN DISORDERS CAUSED BY FREE FATTY ACIDS BETAGENON AB (SE) 2007-01-25 WO disclosed
WO-2007010273-A2 USE OF THIAZOLE DERIVATIVES AND ANALOGUES IN THE TREATMENT OF CANCER BETAGENON AB (SE) 2007-01-25 WO 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-20090156644-A1 Use of thiazole derivatives and analogues in the treatment of cancer TBXA2R, TSHR, FOLR1 HTR2A 446/4885HTR2B 1324/4885HTR2C 1019/4885
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids FFAR2, FFAR1, FFAR4 HTR2A 166/4885HTR2B 803/4885HTR2C 662/4885

“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.