SCHEMBL4136419

SCHEMBL4136419

Cc1ccccc1N=C1NC(=O)C(COc2cccc(C(F)(F)F)c2)S1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.42
GRM2 Q14416 1/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 1/20 0.37
BRD4 O60885 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL4136412 0.85 GAA (0.43) L3MBTL1KMT2AATMALDH1A1USP2
SCHEMBL4136414 0.85 GAA (0.43) L3MBTL1KMT2AATMALDH1A1USP2
SCHEMBL4137368 0.82 HSD11B1 (0.56) HSD11B1L3MBTL1KMT2AATMALDH1A1
SCHEMBL4130981 0.81 HSD11B1 (0.57) HSD11B1KMT2AALDH1A1USP2LMNA
SCHEMBL4141023 0.80 HSD11B1 (0.56) HSD11B1KMT2AALDH1A1USP2LMNA
SCHEMBL4143969 0.80 HSD11B1 (0.55) HSD11B1KMT2AALDH1A1USP2LMNA
SCHEMBL4137544 0.79 HSD11B1 (0.54) HSD11B1KMT2AALDH1A1USP2LMNA
SCHEMBL4132068 0.74 HSD11B1 (0.49) HSD11B1KMT2AALDH1A1USP2LMNA
SCHEMBL4148492 0.69 GAA (0.45) KMT2AALDH1A1LMNAMEN1GAA
SCHEMBL4148496 0.69 GAA (0.45) KMT2AALDH1A1LMNAMEN1GAA

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 6 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
WO-2008090327-A1 NEW COMBINATION FOR USE IN THE TREATMENT OF CANCER BETAGENON AB (SE) 2008-07-31 WO 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-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

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 HSD11B1 1506/4885L3MBTL1 1086/4885GRM2 1784/4885
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids FFAR2, FFAR1, FFAR4 HSD11B1 218/4885L3MBTL1 1492/4885GRM2 688/4885

“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.