SCHEMBL4248401

SCHEMBL4248401

CN(C)S(=O)(=O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
FFAR3 O14843 1/20 0.33
PHF8 Q9UPP1 3/20 0.32
KDM2A Q9Y2K7 3/20 0.32
APEX1 P27695 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP2C19 P33261 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
MMP2 P08253 1/20 0.30
MMP7 P09237 1/20 0.30
MMP14 P50281 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
SCHEMBL9867722 0.78 ALDH1A1 (0.33) POLBCA1CA2
SCHEMBL17323652 0.77 POLB (0.42) POLBCYP2C19
SCHEMBL3466455 0.76 ALDH1A1 (0.38) POLBCA1CA2CYP2C19
SCHEMBL7478797 0.75 POLB (0.40) POLBCYP2C19
Hydrochloric Acid SCHEMBL5498553 0.74 ALDH1A1 (0.36)
SCHEMBL11100542 0.74 APEX1 (0.52) FFAR3PHF8KDM2AAPEX1KDM6B
SCHEMBL28069326 0.72 POLB (0.48) POLBAPEX1CYP2C19MMP2MMP7
SCHEMBL23571252 0.72
SCHEMBL4543902 0.72 TSHR (0.42) CA1CA2
SCHEMBL10732276 0.70 CA1 (0.31) CA1CA2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
EP-2049494-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
US-8222269-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-17 US disclosed
US-20090203684-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
EP-2049494-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
US-20090012076-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-01-08 US disclosed
WO-2008008310-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2008-01-17 WO disclosed
US-3960853-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-06-01 US disclosed
US-3960852-A BACTERICIDES SMITHKLINE BECKMAN CORPORATION 1976-06-01 US disclosed
US-3960855-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-06-01 US disclosed
US-3948905-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-04-06 US disclosed
US-3939266-A BACTERICIDE SMITHKLINE CORPORATION (US) 1976-02-17 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 (4 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO POLB 1777/4885FFAR3 4844/4885PHF8 3247/4885
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 POLB 156/4885FFAR3 4022/4885PHF8 867/4885
US-20090012076-A1 Tyrosine kinase inhibitors ABL1, ERBB2, MET POLB 1947/4885FFAR3 2530/4885PHF8 1062/4885
US-20090203684-A1 Tyrosine kinase inhibitors ABL1, MET, ERBB2 POLB 1694/4885FFAR3 2281/4885PHF8 1292/4885

“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.