SCHEMBL4344095

SCHEMBL4344095

CS(=O)(=O)Nc1cccc(-c2cccc([N+](=O)[O-])c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.48
HSD17B2 P37059 3/20 0.48
BRD4 O60885 5/20 0.45
GPR35 Q9HC97 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
KIF11 P52732 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CLK4 Q9HAZ1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2404857 0.84 CA2 (0.44) HSD17B1HSD17B2GPR35L3MBTL1
SCHEMBL4337102 0.79 CXCR1 (0.51) GPR35TDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4346870 0.79 IKBKB (0.54) HSD17B1HSD17B2BRD4IKBKBCHUK
SCHEMBL5605382 0.74 TDP1 (0.69) GPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL2405410 0.74 GPR35 (0.55) GPR35CYP3A4TDP1L3MBTL1ALDH1A1
Bromide SCHEMBL4334733 0.72 GPR35 (0.53) GPR35CYP3A4TDP1L3MBTL1ALDH1A1
SCHEMBL16759969 0.72 BRD4 (0.60) HSD17B1HSD17B2BRD4IKBKBCHUK
SCHEMBL5499416 0.72 CA12 (0.54) GPR35CYP2C19KDM4ETDP1L3MBTL1
SCHEMBL11309776 0.72 GPR35 (0.78) GPR35CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL408308 0.71 ERN1 (0.59) GPR35TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078213-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2013-03-28 US disclosed
EP-1889838-B1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2009-10-14 EP disclosed
EP-1889838-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2008-02-20 EP disclosed
EP-1864981-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
US-20070129338-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION 2007-06-07 US disclosed
US-20040019190-A1 Thrombopoietin mimetics NOVARTIS AG (CH) 2004-01-29 US disclosed
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 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 (2 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-20070129338-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK HSD17B1 1729/4885HSD17B2 2869/4885BRD4 4395/4885
US-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK HSD17B1 1729/4885HSD17B2 2869/4885BRD4 4395/4885

“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.