SCHEMBL3220583

SCHEMBL3220583

COC(=O)c1ccc(C(C)(C)C)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK14 Q16539 8/20 0.41
RAF1 P04049 2/20 0.40
MAPT P10636 3/20 0.38
XDH P47989 2/20 0.38
ALPL P05186 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17222094 0.83 KDM4E (0.51) GAAKDM4EGLALMNAALDH1A1
SCHEMBL70624 0.81 GAA (0.67) GAAKDM4EGLALMNAALDH1A1
SCHEMBL17649422 0.80 ESR1 (0.56) GAAKDM4EGLALMNAALDH1A1
SCHEMBL10749314 0.77 KDM4E (0.62) GAAKDM4EGLALMNAALDH1A1
SCHEMBL10293767 0.76 SMN1; SMN2 (0.33) ALDH1A1CYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL1422945 0.74 KDM4E (0.58) GAAKDM4EGLALMNAALDH1A1
SCHEMBL13804463 0.74 GAA (0.58) GAAKDM4EGLAALDH1A1MAPK1
SCHEMBL3551459 0.74 GAA (0.58) GAAKDM4EGLALMNAALDH1A1
SCHEMBL1197055 0.72 GAA (0.56) GAAKDM4EGLAALDH1A1MAPK1
SCHEMBL9918755 0.72 GAA (0.56) GAAKDM4EGLALMNAMAPK1

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 24 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-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-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
EP-0986382-B1 RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-06-25 EP disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP 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 461/4885KDM4E 2456/4885GLA 1822/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 GAA 461/4885KDM4E 2456/4885GLA 1822/4885
US-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF GAA 2980/4885KDM4E 2074/4885GLA 3280/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF GAA 2980/4885KDM4E 2074/4885GLA 3280/4885
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 GAA 1948/4885KDM4E 2770/4885GLA 2883/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF GAA 2980/4885KDM4E 2074/4885GLA 3280/4885

“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.