SCHEMBL3897901

SCHEMBL3897901

CCOC(=O)c1ccc(Br)c(OCOC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.55
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ESR1 P03372 2/20 0.45
ESR2 Q92731 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
PTGER4 P35408 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HCRTR1 O43613 1/20 0.42

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
SCHEMBL2645488 0.89 HSD17B2 (0.51) HSD17B2CA12CA1CA2CA7
SCHEMBL3654864 0.88 HSD17B2 (0.56) HSD17B2CA12CA1CA2CA7
SCHEMBL13715259 0.87 HSD17B2 (0.50) HSD17B2CA12CA1CA2CA7
SCHEMBL22324058 0.87 EGFR (0.50) CA12CA1CA2CA7CA9
SCHEMBL3480463 0.87 HSD17B2 (0.59) HSD17B2CA12CA1CA2CA7
SCHEMBL27101323 0.86 HSD17B2 (0.52) HSD17B2CA12CA1CA2CA7
SCHEMBL1630042 0.85 HSD17B2 (0.57) HSD17B2CA12CA1CA2CA7
SCHEMBL18425105 0.84 HSD17B2 (0.64) HSD17B2CA12CA1CA2CA7
SCHEMBL19230528 0.83 HSD17B2 (0.52) HSD17B2CA12CA1CA2CA7
SCHEMBL23304712 0.83 TSHR (0.56) HSD17B2CA12CA1CA2CA7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 US disclosed
EP-1608616-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-28 EP disclosed
WO-2004089874-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 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-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK7 HSD17B2 1001/4885CA12 4619/4885CA1 4206/4885

“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.