SCHEMBL455653

SCHEMBL455653

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1CS(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.46
AAK1 Q2M2I8 1/20 0.40
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 8/20 0.40
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
DGAT1 O75907 2/20 0.37
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34
DYRK1A Q13627 1/20 0.32
FFAR1 O14842 1/20 0.30

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
SCHEMBL3676643 0.84 ALPL (0.46) ALPLAAK1CA1CA2CA9
SCHEMBL1502534 0.81 ALPL (0.56) ALPLAAK1CA1CA2CA9
SCHEMBL15056968 0.80 AAK1 (0.44) ALPLAAK1CA1CA2CA9
SCHEMBL18759846 0.80 ALPL (0.41) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL15956784 0.80 DGAT1 (0.43) ALPLCA1CA2CA9CA12
SCHEMBL15559149 0.77 ALPL (0.43) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL9954690 0.76 ALPL (0.57) ALPLAAK1CA1CA2CA9
SCHEMBL26673668 0.76 CA1 (0.41) CA1CA2CA9CA12CA3
SCHEMBL17450629 0.76 DGAT1 (0.47) ALPLAAK1DGAT1PDGFRBKDR
SCHEMBL110292 0.76 ALPL (0.45) ALPLAAK1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169917-A1 QUINAZOLINE COMPOUND AND PREPARATION METHOD, APPLICATION, AND PHARMACEUTICAL COMPOSTION THEREOF Institute of Materia Medica, Chinese Academy of Medical Sciences (CN) 2023-04-26 EP disclosed
CN-110785420-B Oxazepin derivatives as inhibitors of PI 3-kinase activity 葛兰素史克知识产权开发有限公司 2022-04-26 CN disclosed
WO-2014124757-A1 PYRROLOTRIAZINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-08-21 WO disclosed
WO-2014060431-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-04-24 WO disclosed
US-8580797-B2 Compounds Glaxo Smith Kline Intellectual Property Development Limited (GB) 2013-11-12 US disclosed
EP-2614058-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL]METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL]-2- (METHYLOXY) - 3 - PYRIDINYL]METHANESULFONAMIDE GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2012032067-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL] METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL] -2- (METHYLOXY) - 3 - PYRIDINYL] METHANESULFONAMIDE GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US 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-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 ALPL 4135/4885AAK1 315/4885CA1 4748/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B ALPL 3399/4885AAK1 390/4885CA1 2700/4885

“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.