SCHEMBL3206449

SCHEMBL3206449

COC(=O)c1cc(C(C)(C)C)sc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CISD2 Q8N5K1 1/20 0.47
RAF1 P04049 8/20 0.46
MAPK14 Q16539 6/20 0.46
KDM4E B2RXH2 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CFTR P13569 2/20 0.41

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
SCHEMBL3647679 0.82 GAA (0.63) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL28359916 0.82 GAA (0.40) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL167135 0.81 RAF1 (0.45) MAPTRAF1MAPK14MAPK13MAPK12
SCHEMBL3552066 0.80 KMT2A (0.47) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL3246252 0.80 IKBKB (0.46) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL9806950 0.80 CISD2 (0.57) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL2181959 0.77 ALDH1A1 (0.57) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL3242997 0.76 RAF1 (0.38) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL173108 0.76 RAF1 (0.56) MAPTRAF1MAPK14KDM4EMAPK13
Hydrochloric Acid SCHEMBL10734949 0.75 ALDH1A1 (0.55) GAAALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US disclosed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 EP disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 US disclosed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS BAYER CORPORATION (US) 1998-11-26 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 (6 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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 GAA 461/4885ALDH1A1 1139/4885MAPT 638/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 GAA 461/4885ALDH1A1 1139/4885MAPT 638/4885
US-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF GAA 2980/4885ALDH1A1 2732/4885MAPT 3419/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF GAA 2980/4885ALDH1A1 2732/4885MAPT 3419/4885
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 GAA 1948/4885ALDH1A1 3577/4885MAPT 105/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF GAA 2980/4885ALDH1A1 2732/4885MAPT 3419/4885

“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.