SCHEMBL646500

SCHEMBL646500

CN(c1ccccc1CO)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.43
CLK2 P49760 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
JAK2 O60674 1/20 0.39
PTK2 Q05397 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP19A1 P11511 3/20 0.39

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
SCHEMBL10229066 0.85 KMT2A (0.49) KMT2AALDH1A1TSHRCLK2AURKB
SCHEMBL2634191 0.81 KMT2A (0.46) KMT2AALDH1A1TSHRCLK2AURKB
SCHEMBL16580719 0.81 KMT2A (0.46) KMT2AALDH1A1TSHRCLK2AURKB
SCHEMBL1291311 0.81 KMT2A (0.46) KMT2AALDH1A1TSHRCLK2AURKB
SCHEMBL30621311 0.81 KMT2A (0.46) KMT2AALDH1A1TSHRCLK2AURKB
SCHEMBL646441 0.81 KMT2A (0.46) KMT2AALDH1A1TSHRCLK2AURKB
Hydrochloric Acid SCHEMBL30468480 0.80 KMT2A (0.45) KMT2AALDH1A1TSHRCLK2AURKB
Hydrochloric Acid SCHEMBL15333616 0.80 KMT2A (0.45) KMT2AALDH1A1TSHRCLK2AURKB
SCHEMBL17187943 0.79 KMT2A (0.39) KMT2AALDH1A1TSHRCLK2AURKB
SCHEMBL14832665 0.79 NR3C1 (0.40) KMT2AALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
CN-102459258-B Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives CEPHALON, INC. (US) 2015-11-25 CN disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
US-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 WO disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR KMT2A 2549/4885ALDH1A1 2398/4885TSHR 714/4885
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 KMT2A 1114/4885ALDH1A1 2303/4885TSHR 78/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN KMT2A 1642/4885ALDH1A1 3377/4885TSHR 3331/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 KMT2A 1262/4885ALDH1A1 985/4885TSHR 366/4885

“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.