SCHEMBL4130980

SCHEMBL4130980

Cc1ccc(N=C2NC(=O)C(CCc3cccc(C(F)(F)F)c3)S2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL4130977 1.00 KMT2A (0.46) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4143966 0.94 KMT2A (0.45) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4143963 0.94 KMT2A (0.45) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4136132 0.90 KMT2A (0.57) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4136135 0.90 KMT2A (0.57) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4137537 0.85 GAA (0.46) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4137540 0.85 GAA (0.46) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4130981 0.85 HSD11B1 (0.57) KMT2AGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL4137014 0.84 KMT2A (0.43) KMT2AGAAMAPTTP53SMN1; SMN2
SCHEMBL4137018 0.84 KMT2A (0.43) KMT2AGAAMAPTTP53SMN1; SMN2

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-1906955-A2 USE OF THIAZOLE DERIVATIVES AND ANALOGUES IN THE TREATMENT OF CANCER Betagenon AB (SE) 2008-04-09 EP 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 KMT2A 1742/4885GAA 2671/4885MAPT 3828/4885
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids FFAR2, FFAR1, FFAR4 KMT2A 1701/4885GAA 1211/4885MAPT 2648/4885

“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.