SCHEMBL12879697

SCHEMBL12879697

Cc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
MAPT P10636 1/20 0.77
ADRA1A P35348 1/20 0.77
TSHR P16473 2/20 0.73
MAPK1 P28482 1/20 0.73
CYP2C9 P11712 1/20 0.71
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.64
GBA1 P04062 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PPIA P62937 3/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
USP2 O75604 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL6667090 0.87 ALDH1A1 (0.73) ALDH1A1MAPTADRA1ATSHRMAPK1
SCHEMBL6690673 0.87 PPIA (0.76) ALDH1A1MAPTADRA1ATSHRMAPK1
SCHEMBL31469213 0.87 ALDH1A1 (0.73) ALDH1A1MAPTADRA1ATSHRMAPK1
Sulfamethoxazole SCHEMBL6896861 0.87 ALDH1A1 (1.00) ALDH1A1MAPTADRA1ATSHRMAPK1
Sulfamethoxazole SCHEMBL3656 0.87 ALDH1A1 (1.00) ALDH1A1MAPTADRA1ATSHRMAPK1
SCHEMBL1027519 0.87 TSHR (0.83) ALDH1A1MAPTADRA1ATSHRMAPK1
SCHEMBL31120316 0.86 ALDH1A1 (0.71) ALDH1A1MAPTADRA1ATSHRMAPK1
Sulfamethoxazole SCHEMBL5870744 0.86 ALDH1A1 (0.97) ALDH1A1MAPTADRA1ATSHRMAPK1
Sulfamethoxazole SCHEMBL22467841 0.86 ALDH1A1 (0.97) ALDH1A1MAPTADRA1ATSHRMAPK1
Sulfamethoxazole SCHEMBL28565481 0.86 ALDH1A1 (0.97) ALDH1A1MAPTADRA1ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 US disclosed
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 US disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 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-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB ALDH1A1 3182/4885MAPT 2387/4885ADRA1A 2814/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB ALDH1A1 2849/4885MAPT 2463/4885ADRA1A 2246/4885

“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.