SCHEMBL4032916

SCHEMBL4032916

CCCc1cccc(-c2ncoc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA1 P30542 6/20 0.39
ADORA3 P0DMS8 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 2/20 0.39
ADORA2A P29274 2/20 0.39
RIPK2 O43353 1/20 0.39
ACVR1B P36896 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2B P29275 1/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 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
SCHEMBL4029750 0.91 TGFBR1 (0.47) TGFBR1POLBKDM4EALDH1A1ADORA1
SCHEMBL4032592 0.82 TGFBR1 (0.55) TGFBR1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4029975 0.80 MAPT (0.42) TGFBR1POLBKDM4EALDH1A1ADORA1
SCHEMBL5138656 0.78 TGFBR1 (0.41) TGFBR1KDM4EALDH1A1ADORA1ADORA3
SCHEMBL4035328 0.77 MAPT (0.55) TGFBR1POLBKDM4EALDH1A1ADORA1
SCHEMBL4032928 0.77 KDM4E (0.44) TGFBR1POLBKDM4EALDH1A1ADORA1
SCHEMBL4035678 0.74 TGFBR1 (0.56) TGFBR1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL12472844 0.74 KDM4E (0.54) TGFBR1POLBKDM4EALDH1A1ADORA1
SCHEMBL5139522 0.69 TGFBR1 (0.48) TGFBR1KDM4EALDH1A1ADORA1ADORA3
SCHEMBL30139850 0.69 TGFBR1 (0.54) TGFBR1POLBKDM4EALDH1A1SMN1; 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
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 TGFBR1 1/4885POLB 2246/4885KDM4E 2073/4885

“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.