SCHEMBL4032039

SCHEMBL4032039

Cc1cccc(-c2oc(C)nc2-c2ccc3nnn(C)c3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
NT5E P21589 1/20 0.36
TGFBR1 P36897 12/20 0.36
TGFBR2 P37173 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
SLC9A1 P19634 1/20 0.35
KEAP1 Q14145 1/20 0.35
MTOR P42345 1/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPK14 Q16539 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL4029836 0.91 TGFBR1 (0.38) FAAHNT5ETGFBR1TGFBR2MAP3K20
SCHEMBL4032666 0.83 MAPK14 (0.44) FAAHNT5ETGFBR1TGFBR2MAP3K20
SCHEMBL4029883 0.82 TGFBR1 (0.39) TGFBR1TGFBR2MAP3K20MTORCCR1
SCHEMBL4029863 0.80 MAPK14 (0.47) TGFBR1TGFBR2MAP3K20SLC9A1KEAP1
SCHEMBL4030303 0.77 TGFBR1 (0.39) FAAHTGFBR1TGFBR2MAP3K20SLC9A1
SCHEMBL6076066 0.77 TGFBR1 (0.47) TGFBR1MTORMAPK14
SCHEMBL4032537 0.77 TGFBR1 (0.58) TGFBR1MTORMAPK14
SCHEMBL4030670 0.76 TGFBR1 (0.41) FAAHTGFBR1TGFBR2MAP3K20SLC9A1
SCHEMBL4072430 0.76 TGFBR1 (0.43) TGFBR1TGFBR2MAP3K20MTORMAPK14
SCHEMBL22228627 0.76 TGFBR1 (0.46) TGFBR1MTORMAPK14

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
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP claimed
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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 (1 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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 FAAH 4836/4885NT5E 1826/4885TGFBR1 1/4885

“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.